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

C12H19N3OS — CID 66379851

IUPAC2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(CN)n1)C1CCCC1
InChIInChI=1S/C12H19N3OS/c1-8(9-4-2-3-5-9)14-12(16)10-7-17-11(6-13)15-10/h7-9H,2-6,13H2,1H3,(H,14,16)
InChIKeyPTSOCXBABLQYFD-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.91
Rot. Bonds4

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

2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66379851) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide
PubChem CID66379851
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(CN)n1)C1CCCC1
InChIInChI=1S/C12H19N3OS/c1-8(9-4-2-3-5-9)14-12(16)10-7-17-11(6-13)15-10/h7-9H,2-6,13H2,1H3,(H,14,16)
InChIKeyPTSOCXBABLQYFD-UHFFFAOYSA-N
XLogP1.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 122080623
2-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66376260
2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide
CID 3861951
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228
2-(aminomethyl)-N-(4-amino-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740649
2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119817391
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone
CID 116585162
2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779356
2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 79036145
2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide
CID 115740323
2-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740091

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide (CID 66379851) is 2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide is CC(NC(=O)c1csc(CN)n1)C1CCCC1.
What is the InChIKey of 2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PTSOCXBABLQYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(9-4-2-3-5-9)14-12(16)10-7-17-11(6-13)15-10/h7-9H,2-6,13H2,1H3,(H,14,16).
What are the key properties of 2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66379851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).