2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide

C11H17N3O2S — CID 103811444

IUPAC2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NC2CCCC2CO)cs1
InChIInChI=1S/C11H17N3O2S/c12-4-10-13-9(6-17-10)11(16)14-8-3-1-2-7(8)5-15/h6-8,15H,1-5,12H2,(H,14,16)
InChIKeyPPTKVTZQSZXNJX-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.49
Rot. Bonds4

About 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide (PubChem CID 103811444) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
PubChem CID103811444
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NC2CCCC2CO)cs1
InChIInChI=1S/C11H17N3O2S/c12-4-10-13-9(6-17-10)11(16)14-8-3-1-2-7(8)5-15/h6-8,15H,1-5,12H2,(H,14,16)
InChIKeyPPTKVTZQSZXNJX-UHFFFAOYSA-N
XLogP0.49
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66376467
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119732974
2-[(4-fluorophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 166311557
2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 119783085
2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 103798441
N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 119611593
N-[2-(aminomethyl)cyclohexyl]-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119609820
2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 120630586
2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 103812762
N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119600962
2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635817
2-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 103810798

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide (CID 103811444) is 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)NC2CCCC2CO)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PPTKVTZQSZXNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-4-10-13-9(6-17-10)11(16)14-8-3-1-2-7(8)5-15/h6-8,15H,1-5,12H2,(H,14,16).
What are the key properties of 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103811444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).