2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide

C9H13N3OS — CID 115739557

IUPAC2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide
SMILESCC1(NC(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C9H13N3OS/c1-9(2-3-9)12-8(13)6-5-14-7(4-10)11-6/h5H,2-4,10H2,1H3,(H,12,13)
InChIKeyFZLFNKTYFFIZQF-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.88
Rot. Bonds3

About 2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide (PubChem CID 115739557) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide
PubChem CID115739557
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide
SMILESCC1(NC(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C9H13N3OS/c1-9(2-3-9)12-8(13)6-5-14-7(4-10)11-6/h5H,2-4,10H2,1H3,(H,12,13)
InChIKeyFZLFNKTYFFIZQF-UHFFFAOYSA-N
XLogP0.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 66377481
2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119780565
ethyl 4-[(1-methylcyclopropyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698267
2-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide
CID 119821394
2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 66389528
2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 119760269
2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 62787757
1-[[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312244
2-(aminomethyl)-N-[1-(propylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119767199
2-(aminomethyl)-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119812243
2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide (CID 115739557) is 2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide is CC1(NC(=O)c2csc(CN)n2)CC1.
What is the InChIKey of 2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FZLFNKTYFFIZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-9(2-3-9)12-8(13)6-5-14-7(4-10)11-6/h5H,2-4,10H2,1H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 115739557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).