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

C17H20ClN3OS — CID 100645896

IUPAC2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)N(Cc2ccccc2Cl)C2CCCC2)cs1
InChIInChI=1S/C17H20ClN3OS/c18-14-8-4-1-5-12(14)10-21(13-6-2-3-7-13)17(22)15-11-23-16(9-19)20-15/h1,4-5,8,11,13H,2-3,6-7,9-10,19H2
InChIKeyRBXXVRVQLWFRGZ-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.84
Rot. Bonds5

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

2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide (PubChem CID 100645896) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide
PubChem CID100645896
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)N(Cc2ccccc2Cl)C2CCCC2)cs1
InChIInChI=1S/C17H20ClN3OS/c18-14-8-4-1-5-12(14)10-21(13-6-2-3-7-13)17(22)15-11-23-16(9-19)20-15/h1,4-5,8,11,13H,2-3,6-7,9-10,19H2
InChIKeyRBXXVRVQLWFRGZ-UHFFFAOYSA-N
XLogP3.84
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66375709
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119691625
2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120631197
2-(aminomethyl)-N-butyl-N-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119769463
2-(aminomethyl)-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]-1,3-thiazole-4-carboxamide
CID 119773884
2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119715290
2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66375904
2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
CID 115739589
2-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66376261
2-(aminomethyl)-N-(1-benzylpiperidin-3-yl)-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119857615
2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide
CID 119787293
2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66388908

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide (CID 100645896) is 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)N(Cc2ccccc2Cl)C2CCCC2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide?
The InChIKey is RBXXVRVQLWFRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c18-14-8-4-1-5-12(14)10-21(13-6-2-3-7-13)17(22)15-11-23-16(9-19)20-15/h1,4-5,8,11,13H,2-3,6-7,9-10,19H2.
What are the key properties of 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide has a molecular weight of 349.89 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 100645896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).