5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane

C54H100N18O4S — CID 157151007

IUPAC5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane
SMILESC.CC(C)(C)c1c[nH]c(=O)o1.CC(C)(C)c1cnc(N)[nH]1.CC(C)(C)c1cnc(N)o1.CC(C)(C)c1cnc(N)s1.CC(C)(C)c1cnc(NCCO)[nH]1.CC(C)(C)c1nc(NCCN)n[nH]1.Cc1ncc(C(C)(C)C)[nH]1
InChIInChI=1S/C9H17N3O.C8H17N5.C8H14N2.C7H13N3.C7H12N2O.C7H12N2S.C7H11NO2.CH4/c1-9(2,3)7-6-11-8(12-7)10-4-5-13;1-8(2,3)6-11-7(13-12-6)10-5-4-9;1-6-9-5-7(10-6)8(2,3)4;3*1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)5-4-8-6(9)10-5;/h6,13H,4-5H2,1-3H3,(H2,10,11,12);4-5,9H2,1-3H3,(H2,10,11,12,13);5H,1-4H3,(H,9,10);4H,1-3H3,(H3,8,9,10);2*4H,1-3H3,(H2,8,9);4H,1-3H3,(H,8,9);1H4
InChIKeyALGHFKFGYQHCHD-UHFFFAOYSA-N
MW1097.58 g/mol
LogP10.37
Rot. Bonds6

About 5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane

5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane (PubChem CID 157151007) has the molecular formula C54H100N18O4S and a molecular weight of 1097.58 g/mol. Its IUPAC name is 5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane.

Molecular Properties

Compound Name5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane
PubChem CID157151007
Molecular FormulaC54H100N18O4S
Molecular Weight1097.58 g/mol
Exact Mass1096.79
IUPAC Name5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane
SMILESC.CC(C)(C)c1c[nH]c(=O)o1.CC(C)(C)c1cnc(N)[nH]1.CC(C)(C)c1cnc(N)o1.CC(C)(C)c1cnc(N)s1.CC(C)(C)c1cnc(NCCO)[nH]1.CC(C)(C)c1nc(NCCN)n[nH]1.Cc1ncc(C(C)(C)C)[nH]1
InChIInChI=1S/C9H17N3O.C8H17N5.C8H14N2.C7H13N3.C7H12N2O.C7H12N2S.C7H11NO2.CH4/c1-9(2,3)7-6-11-8(12-7)10-4-5-13;1-8(2,3)6-11-7(13-12-6)10-5-4-9;1-6-9-5-7(10-6)8(2,3)4;3*1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)5-4-8-6(9)10-5;/h6,13H,4-5H2,1-3H3,(H2,10,11,12);4-5,9H2,1-3H3,(H2,10,11,12,13);5H,1-4H3,(H,9,10);4H,1-3H3,(H3,8,9,10);2*4H,1-3H3,(H2,8,9);4H,1-3H3,(H,8,9);1H4
InChIKeyALGHFKFGYQHCHD-UHFFFAOYSA-N
XLogP10.37
TPSA360.90 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001097.58
LogP ≤ 510.37
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze 5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane?
The IUPAC name of 5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane (CID 157151007) is 5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane.
What is the SMILES notation for 5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane?
The canonical SMILES for 5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane is C.CC(C)(C)c1c[nH]c(=O)o1.CC(C)(C)c1cnc(N)[nH]1.CC(C)(C)c1cnc(N)o1.CC(C)(C)c1cnc(N)s1.CC(C)(C)c1cnc(NCCO)[nH]1.CC(C)(C)c1nc(NCCN)n[nH]1.Cc1ncc(C(C)(C)C)[nH]1.
What is the InChIKey of 5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane?
The InChIKey is ALGHFKFGYQHCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.C8H17N5.C8H14N2.C7H13N3.C7H12N2O.C7H12N2S.C7H11NO2.CH4/c1-9(2,3)7-6-11-8(12-7)10-4-5-13;1-8(2,3)6-11-7(13-12-6)10-5-4-9;1-6-9-5-7(10-6)8(2,3)4;3*1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)5-4-8-6(9)10-5;/h6,13H,4-5H2,1-3H3,(H2,10,11,12);4-5,9H2,1-3H3,(H2,10,11,12,13);5H,1-4H3,(H,9,10);4H,1-3H3,(H3,8,9,10);2*4H,1-3H3,(H2,8,9);4H,1-3H3,(H,8,9);1H4.
What are the key properties of 5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane?
5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane has a molecular weight of 1097.58 g/mol, XLogP of 10.37, 6 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1H-imidazol-2-amine;2-[(5-tert-butyl-1H-imidazol-2-yl)amino]ethanol;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-1,3-oxazol-2-amine;5-tert-butyl-3H-1,3-oxazol-2-one;5-tert-butyl-1,3-thiazol-2-amine;N'-(5-tert-butyl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine;methane is sourced from PubChem (CID 157151007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).