N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide

C16H21ClN2OS — CID 119303951

IUPACN-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCCC1)C1CSCN1
InChIInChI=1S/C16H21ClN2OS/c17-13-5-3-12(4-6-13)16(7-1-2-8-16)10-18-15(20)14-9-21-11-19-14/h3-6,14,19H,1-2,7-11H2,(H,18,20)
InChIKeyYKGQATXGIOKJHF-UHFFFAOYSA-N
MW324.88 g/mol
LogP2.93
Rot. Bonds4

About N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide

N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119303951) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119303951
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC NameN-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCCC1)C1CSCN1
InChIInChI=1S/C16H21ClN2OS/c17-13-5-3-12(4-6-13)16(7-1-2-8-16)10-18-15(20)14-9-21-11-19-14/h3-6,14,19H,1-2,7-11H2,(H,18,20)
InChIKeyYKGQATXGIOKJHF-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119303673
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119315649
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119302310
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119320200
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide
CID 119749968
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 81434148
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 119303685
N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide
CID 110666300
N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 105417283
N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794483
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119310485

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 119303951) is N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide is O=C(NCC1(c2ccc(Cl)cc2)CCCC1)C1CSCN1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is YKGQATXGIOKJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c17-13-5-3-12(4-6-13)16(7-1-2-8-16)10-18-15(20)14-9-21-11-19-14/h3-6,14,19H,1-2,7-11H2,(H,18,20).
What are the key properties of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide?
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 324.88 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119303951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).