2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide

C12H17N5OS — CID 119859064

IUPAC2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(CNC(=O)c1csc(CN)n1)Cn1ccnc1
InChIInChI=1S/C12H17N5OS/c1-9(6-17-3-2-14-8-17)5-15-12(18)10-7-19-11(4-13)16-10/h2-3,7-9H,4-6,13H2,1H3,(H,15,18)
InChIKeyHFKXONQYJGIXGL-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.86
Rot. Bonds6

About 2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 119859064) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID119859064
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(CNC(=O)c1csc(CN)n1)Cn1ccnc1
InChIInChI=1S/C12H17N5OS/c1-9(6-17-3-2-14-8-17)5-15-12(18)10-7-19-11(4-13)16-10/h2-3,7-9H,4-6,13H2,1H3,(H,15,18)
InChIKeyHFKXONQYJGIXGL-UHFFFAOYSA-N
XLogP0.86
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 66376914
2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride
CID 120503214
N-(3-imidazol-1-yl-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 122141828
2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide
CID 115739469
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 96570332
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119784039
2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide
CID 122145663
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide
CID 124589580
2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
CID 119859030
2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119795780

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide (CID 119859064) is 2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide is CC(CNC(=O)c1csc(CN)n1)Cn1ccnc1.
What is the InChIKey of 2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HFKXONQYJGIXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-9(6-17-3-2-14-8-17)5-15-12(18)10-7-19-11(4-13)16-10/h2-3,7-9H,4-6,13H2,1H3,(H,15,18).
What are the key properties of 2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-imidazol-1-yl-2-methylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119859064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).