N-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide

C17H20ClN3OS — CID 168584196

IUPACN-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide
SMILESCc1c(NCc2cnc(Cl)s2)cccc1NC(=O)C1CCCC1
InChIInChI=1S/C17H20ClN3OS/c1-11-14(19-9-13-10-20-17(18)23-13)7-4-8-15(11)21-16(22)12-5-2-3-6-12/h4,7-8,10,12,19H,2-3,5-6,9H2,1H3,(H,21,22)
InChIKeyYDQMOSZPAUMUGQ-UHFFFAOYSA-N
MW349.89 g/mol
LogP4.85
Rot. Bonds5

About N-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide

N-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide (PubChem CID 168584196) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is N-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide
PubChem CID168584196
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC NameN-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide
SMILESCc1c(NCc2cnc(Cl)s2)cccc1NC(=O)C1CCCC1
InChIInChI=1S/C17H20ClN3OS/c1-11-14(19-9-13-10-20-17(18)23-13)7-4-8-15(11)21-16(22)12-5-2-3-6-12/h4,7-8,10,12,19H,2-3,5-6,9H2,1H3,(H,21,22)
InChIKeyYDQMOSZPAUMUGQ-UHFFFAOYSA-N
XLogP4.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxyphenyl]ethanone
CID 168580226
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide
CID 168579845
N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide
CID 103639120
2-bromo-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168579944
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54815961
N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54846395
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844663
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-prop-2-ynylbenzamide
CID 168580254
N-[3-(cyclopentanecarbonylamino)-2-methylphenyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 131945336
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenol
CID 168580519
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide (CID 168584196) is N-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide is Cc1c(NCc2cnc(Cl)s2)cccc1NC(=O)C1CCCC1.
What is the InChIKey of N-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide?
The InChIKey is YDQMOSZPAUMUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-11-14(19-9-13-10-20-17(18)23-13)7-4-8-15(11)21-16(22)12-5-2-3-6-12/h4,7-8,10,12,19H,2-3,5-6,9H2,1H3,(H,21,22).
What are the key properties of N-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide?
N-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide has a molecular weight of 349.89 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]cyclopentanecarboxamide is sourced from PubChem (CID 168584196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).