2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide

C11H17N3OS — CID 82117272

IUPAC2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN)sc1C(=O)NC1CCCC1
InChIInChI=1S/C11H17N3OS/c1-7-10(16-9(6-12)13-7)11(15)14-8-4-2-3-5-8/h8H,2-6,12H2,1H3,(H,14,15)
InChIKeyVBZWOKBKEMGIRM-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.58
Rot. Bonds3

About 2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide

2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 82117272) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID82117272
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN)sc1C(=O)NC1CCCC1
InChIInChI=1S/C11H17N3OS/c1-7-10(16-9(6-12)13-7)11(15)14-8-4-2-3-5-8/h8H,2-6,12H2,1H3,(H,14,15)
InChIKeyVBZWOKBKEMGIRM-UHFFFAOYSA-N
XLogP1.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
CID 91821812
N-cyclopentyl-2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 45495297
N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 110386309
N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 23612936
N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676616
2-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 46741141
ethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 110387107
N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119474665
N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18227661
ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 110387370
N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 16957722

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide (CID 82117272) is 2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(CN)sc1C(=O)NC1CCCC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VBZWOKBKEMGIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-10(16-9(6-12)13-7)11(15)14-8-4-2-3-5-8/h8H,2-6,12H2,1H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 82117272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).