3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride

C16H19Cl2N3OS2 — CID 119758989

IUPAC3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1csc(Sc2ccc(NC(=O)C3CCC(N)C3)cc2Cl)n1.Cl
InChIInChI=1S/C16H18ClN3OS2.ClH/c1-9-8-22-16(19-9)23-14-5-4-12(7-13(14)17)20-15(21)10-2-3-11(18)6-10;/h4-5,7-8,10-11H,2-3,6,18H2,1H3,(H,20,21);1H
InChIKeyNPYBXPYQGRCLDP-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.74
Rot. Bonds4

About 3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119758989) has the molecular formula C16H19Cl2N3OS2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119758989
Molecular FormulaC16H19Cl2N3OS2
Molecular Weight404.39 g/mol
Exact Mass403.03
IUPAC Name3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1csc(Sc2ccc(NC(=O)C3CCC(N)C3)cc2Cl)n1.Cl
InChIInChI=1S/C16H18ClN3OS2.ClH/c1-9-8-22-16(19-9)23-14-5-4-12(7-13(14)17)20-15(21)10-2-3-11(18)6-10;/h4-5,7-8,10-11H,2-3,6,18H2,1H3,(H,20,21);1H
InChIKeyNPYBXPYQGRCLDP-UHFFFAOYSA-N
XLogP4.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

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CID 119670627
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CID 66009345
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
CID 133116598
3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
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3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119771531

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119758989) is 3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride is Cc1csc(Sc2ccc(NC(=O)C3CCC(N)C3)cc2Cl)n1.Cl.
What is the InChIKey of 3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is NPYBXPYQGRCLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS2.ClH/c1-9-8-22-16(19-9)23-14-5-4-12(7-13(14)17)20-15(21)10-2-3-11(18)6-10;/h4-5,7-8,10-11H,2-3,6,18H2,1H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 404.39 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119758989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).