N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide

C11H10ClN3OS — CID 43702291

IUPACN-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)C1CSCN1
InChIInChI=1S/C11H10ClN3OS/c12-8-2-1-7(4-13)9(3-8)15-11(16)10-5-17-6-14-10/h1-3,10,14H,5-6H2,(H,15,16)
InChIKeyVFWXHLFJLRVOFU-UHFFFAOYSA-N
MW267.74 g/mol
LogP1.81
Rot. Bonds2

About N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide

N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 43702291) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID43702291
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC NameN-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)C1CSCN1
InChIInChI=1S/C11H10ClN3OS/c12-8-2-1-7(4-13)9(3-8)15-11(16)10-5-17-6-14-10/h1-3,10,14H,5-6H2,(H,15,16)
InChIKeyVFWXHLFJLRVOFU-UHFFFAOYSA-N
XLogP1.81
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422973
N-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862385
N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 43709146
cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366184
(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-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43122672
N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106892899
N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281208
4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide
CID 79211095
N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262947
5-[(5-chloro-2-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687943

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide (CID 43702291) is N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide is N#Cc1ccc(Cl)cc1NC(=O)C1CSCN1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is VFWXHLFJLRVOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c12-8-2-1-7(4-13)9(3-8)15-11(16)10-5-17-6-14-10/h1-3,10,14H,5-6H2,(H,15,16).
What are the key properties of N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide?
N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 267.74 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43702291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).