3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride

C16H21ClN4OS — CID 119698990

IUPAC3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.Cn1ccnc1Sc1ccc(NC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C16H20N4OS.ClH/c1-20-9-8-18-16(20)22-14-6-4-13(5-7-14)19-15(21)11-2-3-12(17)10-11;/h4-9,11-12H,2-3,10,17H2,1H3,(H,19,21);1H
InChIKeyMZEKPIKUMXACTO-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.06
Rot. Bonds4

About 3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119698990) has the molecular formula C16H21ClN4OS and a molecular weight of 352.89 g/mol. Its IUPAC name is 3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119698990
Molecular FormulaC16H21ClN4OS
Molecular Weight352.89 g/mol
Exact Mass352.11
IUPAC Name3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.Cn1ccnc1Sc1ccc(NC(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C16H20N4OS.ClH/c1-20-9-8-18-16(20)22-14-6-4-13(5-7-14)19-15(21)11-2-3-12(17)10-11;/h4-9,11-12H,2-3,10,17H2,1H3,(H,19,21);1H
InChIKeyMZEKPIKUMXACTO-UHFFFAOYSA-N
XLogP3.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
CID 55497102
1-(3,5-dimethoxybenzoyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]piperidine-4-carboxamide
CID 55721837
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
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N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide
CID 119698985
3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide
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3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
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N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119698990) is 3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride is Cl.Cn1ccnc1Sc1ccc(NC(=O)C2CCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is MZEKPIKUMXACTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS.ClH/c1-20-9-8-18-16(20)22-14-6-4-13(5-7-14)19-15(21)11-2-3-12(17)10-11;/h4-9,11-12H,2-3,10,17H2,1H3,(H,19,21);1H.
What are the key properties of 3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 352.89 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119698990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).