N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide

C11H13ClN2OS — CID 43122672

IUPACN-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CSCN2)c(Cl)c1
InChIInChI=1S/C11H13ClN2OS/c1-7-2-3-9(8(12)4-7)14-11(15)10-5-16-6-13-10/h2-4,10,13H,5-6H2,1H3,(H,14,15)
InChIKeyHQFRIEKZMMBTLV-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.25
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide

N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 43122672) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID43122672
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC NameN-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CSCN2)c(Cl)c1
InChIInChI=1S/C11H13ClN2OS/c1-7-2-3-9(8(12)4-7)14-11(15)10-5-16-6-13-10/h2-4,10,13H,5-6H2,1H3,(H,14,15)
InChIKeyHQFRIEKZMMBTLV-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82906287
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
N-(5-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 62908918
N-(5-chloro-2-methoxy-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 110792775
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 81291659
N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43706823
N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 103479490
N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43697653
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 103585937
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide (CID 43122672) is N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide is Cc1ccc(NC(=O)C2CSCN2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HQFRIEKZMMBTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-7-2-3-9(8(12)4-7)14-11(15)10-5-16-6-13-10/h2-4,10,13H,5-6H2,1H3,(H,14,15).
What are the key properties of N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 256.76 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43122672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).