1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride

C17H22ClN3O2S — CID 119273536

IUPAC1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)C2(N)CCCC2)n1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-11-5-6-14(22-2)12(9-11)13-10-23-16(19-13)20-15(21)17(18)7-3-4-8-17;/h5-6,9-10H,3-4,7-8,18H2,1-2H3,(H,19,20,21);1H
InChIKeyYTPAYGXBHZGYGA-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.76
Rot. Bonds4

About 1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119273536) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119273536
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)C2(N)CCCC2)n1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-11-5-6-14(22-2)12(9-11)13-10-23-16(19-13)20-15(21)17(18)7-3-4-8-17;/h5-6,9-10H,3-4,7-8,18H2,1-2H3,(H,19,20,21);1H
InChIKeyYTPAYGXBHZGYGA-UHFFFAOYSA-N
XLogP3.76
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119685811
1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119271809
9-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984295
2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
CID 119273540
methyl 4-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 26723703
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 35889009
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17417503
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 55415620
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119693768
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide
CID 119275665
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 26723539
2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 60523479

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride (CID 119273536) is 1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride is COc1ccc(C)cc1-c1csc(NC(=O)C2(N)CCCC2)n1.Cl.
What is the InChIKey of 1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is YTPAYGXBHZGYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S.ClH/c1-11-5-6-14(22-2)12(9-11)13-10-23-16(19-13)20-15(21)17(18)7-3-4-8-17;/h5-6,9-10H,3-4,7-8,18H2,1-2H3,(H,19,20,21);1H.
What are the key properties of 1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119273536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).