5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate

C98H161N27O12S2 — CID 157081641

IUPAC5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate
SMILESCC(C)(C)c1cnc(C(N)=O)s1.CC(C)(C)c1cnc(CC(=O)N2CCOCC2)o1.CN(C)CC(=O)Cc1ncc(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+]CC(N)=Nc1ncc(C(C)(C)C)n1C.[H]/N=C(/Cc1ncc(C(C)(C)C)o1)OCC
InChIInChI=1S/C15H26N4OS.C13H20N2O3.C12H20N2O2.C11H17N5.C11H18N2O2.C10H18N4O.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;1-13(2,3)10-9-14-11(18-10)8-12(16)15-4-6-17-7-5-15;1-12(2,3)10-7-13-11(16-10)6-9(15)8-14(4)5;1-11(2,3)8-6-14-10(16(8)5)15-9(12)7-13-4;1-5-14-9(12)6-10-13-7-8(15-10)11(2,3)4;1-10(2,3)7-5-12-9(14(7)4)13-6-8(11)15;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);9H,4-8H2,1-3H3;7H,6,8H2,1-5H3;6H,7H2,1-3,5H3,(H2,12,14,15);7,12H,5-6H2,1-4H3;5H,6H2,1-4H3,(H2,11,15)(H,12,13);5-6H,1-4H3,(H,10,13);5H,1-4H3,(H2,10,13);4H,1-3H3,(H2,9,11)/b;;;;12-9-;;;;
InChIKeyADPQBRWSYNZMGG-VSMXJTIRSA-N
MW1973.68 g/mol
LogP12.93
Rot. Bonds20

About 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate

5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate (PubChem CID 157081641) has the molecular formula C98H161N27O12S2 and a molecular weight of 1973.68 g/mol. Its IUPAC name is 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate.

Molecular Properties

Compound Name5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate
PubChem CID157081641
Molecular FormulaC98H161N27O12S2
Molecular Weight1973.68 g/mol
Exact Mass1972.23
IUPAC Name5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate
SMILESCC(C)(C)c1cnc(C(N)=O)s1.CC(C)(C)c1cnc(CC(=O)N2CCOCC2)o1.CN(C)CC(=O)Cc1ncc(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+]CC(N)=Nc1ncc(C(C)(C)C)n1C.[H]/N=C(/Cc1ncc(C(C)(C)C)o1)OCC
InChIInChI=1S/C15H26N4OS.C13H20N2O3.C12H20N2O2.C11H17N5.C11H18N2O2.C10H18N4O.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;1-13(2,3)10-9-14-11(18-10)8-12(16)15-4-6-17-7-5-15;1-12(2,3)10-7-13-11(16-10)6-9(15)8-14(4)5;1-11(2,3)8-6-14-10(16(8)5)15-9(12)7-13-4;1-5-14-9(12)6-10-13-7-8(15-10)11(2,3)4;1-10(2,3)7-5-12-9(14(7)4)13-6-8(11)15;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);9H,4-8H2,1-3H3;7H,6,8H2,1-5H3;6H,7H2,1-3,5H3,(H2,12,14,15);7,12H,5-6H2,1-4H3;5H,6H2,1-4H3,(H2,11,15)(H,12,13);5-6H,1-4H3,(H,10,13);5H,1-4H3,(H2,10,13);4H,1-3H3,(H2,9,11)/b;;;;12-9-;;;;
InChIKeyADPQBRWSYNZMGG-VSMXJTIRSA-N
XLogP12.93
TPSA506.80 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001973.68
LogP ≤ 512.93
H-Bond Donors ≤ 58
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'}

Analyze 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate 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;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate?
The IUPAC name of 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate (CID 157081641) is 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate.
What is the SMILES notation for 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate?
The canonical SMILES for 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate is CC(C)(C)c1cnc(C(N)=O)s1.CC(C)(C)c1cnc(CC(=O)N2CCOCC2)o1.CN(C)CC(=O)Cc1ncc(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+]CC(N)=Nc1ncc(C(C)(C)C)n1C.[H]/N=C(/Cc1ncc(C(C)(C)C)o1)OCC.
What is the InChIKey of 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate?
The InChIKey is ADPQBRWSYNZMGG-VSMXJTIRSA-N. The full InChI is InChI=1S/C15H26N4OS.C13H20N2O3.C12H20N2O2.C11H17N5.C11H18N2O2.C10H18N4O.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;1-13(2,3)10-9-14-11(18-10)8-12(16)15-4-6-17-7-5-15;1-12(2,3)10-7-13-11(16-10)6-9(15)8-14(4)5;1-11(2,3)8-6-14-10(16(8)5)15-9(12)7-13-4;1-5-14-9(12)6-10-13-7-8(15-10)11(2,3)4;1-10(2,3)7-5-12-9(14(7)4)13-6-8(11)15;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);9H,4-8H2,1-3H3;7H,6,8H2,1-5H3;6H,7H2,1-3,5H3,(H2,12,14,15);7,12H,5-6H2,1-4H3;5H,6H2,1-4H3,(H2,11,15)(H,12,13);5-6H,1-4H3,(H,10,13);5H,1-4H3,(H2,10,13);4H,1-3H3,(H2,9,11)/b;;;;12-9-;;;;.
What are the key properties of 5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate?
5-tert-butyl-1-methylimidazole-2-carboxamide;2-[(5-tert-butyl-1-methylimidazol-2-yl)amino]acetamide;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate has a molecular weight of 1973.68 g/mol, XLogP of 12.93, 20 rotatable bonds, 8 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;N'-(5-tert-butyl-1-methylimidazol-2-yl)-2-isocyanoethanimidamide;5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;4-tert-butyl-N-methylpyrazole-1-carboxamide;1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one;2-(5-tert-butyl-1,3-oxazol-2-yl)-1-morpholin-4-ylethanone;5-tert-butyl-1,3-thiazole-2-carboxamide;ethyl 2-(5-tert-butyl-1,3-oxazol-2-yl)ethanimidate is sourced from PubChem (CID 157081641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).