5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate

C94H158N32O11S2 — CID 159083592

IUPAC5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate
SMILESCC(C)(C)c1cnc(C(N)=O)s1.CC(C)(C)c1cnc(N=C(N)N2CCOCC2)o1.CCOC(N)=Nc1ncc(C(C)(C)C)o1.CN(C)CC(=O)Nc1ncc(C(C)(C)C)o1.CN1CCN(CCNC(=O)c2ncc(C(C)(C)C)s2)CC1.CNC(=O)n1cc(C(C)(C)C)cn1.Cn1c(C(C)(C)C)cnc1C(N)=O.Cn1c(C(C)(C)C)cnc1NCC(N)=O.[C-]#[N+]N=C(N)Nc1ncc(C(C)(C)C)n1C
InChIInChI=1S/C15H26N4OS.C12H20N4O2.C11H19N3O2.C10H16N6.C10H18N4O.C10H17N3O2.2C9H15N3O.C8H12N2OS/c1-15(2,3)12-11-17-14(21-12)13(20)16-5-6-19-9-7-18(4)8-10-19;1-12(2,3)9-8-14-11(18-9)15-10(13)16-4-6-17-7-5-16;1-11(2,3)8-6-12-10(16-8)13-9(15)7-14(4)5;1-10(2,3)7-6-13-9(16(7)5)14-8(11)15-12-4;1-10(2,3)7-5-12-9(14(7)4)13-6-8(11)15;1-5-14-8(11)13-9-12-6-7(15-9)10(2,3)4;1-9(2,3)7-5-11-12(6-7)8(13)10-4;1-9(2,3)6-5-11-8(7(10)13)12(6)4;1-8(2,3)5-4-10-7(12-5)6(9)11/h11H,5-10H2,1-4H3,(H,16,20);8H,4-7H2,1-3H3,(H2,13,14,15);6H,7H2,1-5H3,(H,12,13,15);6H,1-3,5H3,(H3,11,13,14,15);5H,6H2,1-4H3,(H2,11,15)(H,12,13);6H,5H2,1-4H3,(H2,11,12,13);5-6H,1-4H3,(H,10,13);5H,1-4H3,(H2,10,13);4H,1-3H3,(H2,9,11)
InChIKeyKBDVTHYKFBBNSR-UHFFFAOYSA-N
MW1976.64 g/mol
LogP11.71
Rot. Bonds16

About 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate

5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate (PubChem CID 159083592) has the molecular formula C94H158N32O11S2 and a molecular weight of 1976.64 g/mol. Its IUPAC name is 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate.

Molecular Properties

Compound Name5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate
PubChem CID159083592
Molecular FormulaC94H158N32O11S2
Molecular Weight1976.64 g/mol
Exact Mass1975.22
IUPAC Name5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate
SMILESCC(C)(C)c1cnc(C(N)=O)s1.CC(C)(C)c1cnc(N=C(N)N2CCOCC2)o1.CCOC(N)=Nc1ncc(C(C)(C)C)o1.CN(C)CC(=O)Nc1ncc(C(C)(C)C)o1.CN1CCN(CCNC(=O)c2ncc(C(C)(C)C)s2)CC1.CNC(=O)n1cc(C(C)(C)C)cn1.Cn1c(C(C)(C)C)cnc1C(N)=O.Cn1c(C(C)(C)C)cnc1NCC(N)=O.[C-]#[N+]N=C(N)Nc1ncc(C(C)(C)C)n1C
InChIInChI=1S/C15H26N4OS.C12H20N4O2.C11H19N3O2.C10H16N6.C10H18N4O.C10H17N3O2.2C9H15N3O.C8H12N2OS/c1-15(2,3)12-11-17-14(21-12)13(20)16-5-6-19-9-7-18(4)8-10-19;1-12(2,3)9-8-14-11(18-9)15-10(13)16-4-6-17-7-5-16;1-11(2,3)8-6-12-10(16-8)13-9(15)7-14(4)5;1-10(2,3)7-6-13-9(16(7)5)14-8(11)15-12-4;1-10(2,3)7-5-12-9(14(7)4)13-6-8(11)15;1-5-14-8(11)13-9-12-6-7(15-9)10(2,3)4;1-9(2,3)7-5-11-12(6-7)8(13)10-4;1-9(2,3)6-5-11-8(7(10)13)12(6)4;1-8(2,3)5-4-10-7(12-5)6(9)11/h11H,5-10H2,1-4H3,(H,16,20);8H,4-7H2,1-3H3,(H2,13,14,15);6H,7H2,1-5H3,(H,12,13,15);6H,1-3,5H3,(H3,11,13,14,15);5H,6H2,1-4H3,(H2,11,15)(H,12,13);6H,5H2,1-4H3,(H2,11,12,13);5-6H,1-4H3,(H,10,13);5H,1-4H3,(H2,10,13);4H,1-3H3,(H2,9,11)
InChIKeyKBDVTHYKFBBNSR-UHFFFAOYSA-N
XLogP11.71
TPSA566.70 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds16
Heavy Atoms139
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001976.64
LogP ≤ 511.71
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate?
The IUPAC name of 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate (CID 159083592) is 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate.
What is the SMILES notation for 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate?
The canonical SMILES for 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate is CC(C)(C)c1cnc(C(N)=O)s1.CC(C)(C)c1cnc(N=C(N)N2CCOCC2)o1.CCOC(N)=Nc1ncc(C(C)(C)C)o1.CN(C)CC(=O)Nc1ncc(C(C)(C)C)o1.CN1CCN(CCNC(=O)c2ncc(C(C)(C)C)s2)CC1.CNC(=O)n1cc(C(C)(C)C)cn1.Cn1c(C(C)(C)C)cnc1C(N)=O.Cn1c(C(C)(C)C)cnc1NCC(N)=O.[C-]#[N+]N=C(N)Nc1ncc(C(C)(C)C)n1C.
What is the InChIKey of 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate?
The InChIKey is KBDVTHYKFBBNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS.C12H20N4O2.C11H19N3O2.C10H16N6.C10H18N4O.C10H17N3O2.2C9H15N3O.C8H12N2OS/c1-15(2,3)12-11-17-14(21-12)13(20)16-5-6-19-9-7-18(4)8-10-19;1-12(2,3)9-8-14-11(18-9)15-10(13)16-4-6-17-7-5-16;1-11(2,3)8-6-12-10(16-8)13-9(15)7-14(4)5;1-10(2,3)7-6-13-9(16(7)5)14-8(11)15-12-4;1-10(2,3)7-5-12-9(14(7)4)13-6-8(11)15;1-5-14-8(11)13-9-12-6-7(15-9)10(2,3)4;1-9(2,3)7-5-11-12(6-7)8(13)10-4;1-9(2,3)6-5-11-8(7(10)13)12(6)4;1-8(2,3)5-4-10-7(12-5)6(9)11/h11H,5-10H2,1-4H3,(H,16,20);8H,4-7H2,1-3H3,(H2,13,14,15);6H,7H2,1-5H3,(H,12,13,15);6H,1-3,5H3,(H3,11,13,14,15);5H,6H2,1-4H3,(H2,11,15)(H,12,13);6H,5H2,1-4H3,(H2,11,12,13);5-6H,1-4H3,(H,10,13);5H,1-4H3,(H2,10,13);4H,1-3H3,(H2,9,11).
What are the key properties of 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate?
5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate has a molecular weight of 1976.64 g/mol, XLogP of 11.71, 16 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;1-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoguanidine;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide;N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate is sourced from PubChem (CID 159083592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).