N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride

C11H12Cl2N4OS — CID 119337642

IUPACN-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc2c(Cl)cccc2[nH]1)C1CSCN1
InChIInChI=1S/C11H11ClN4OS.ClH/c12-6-2-1-3-7-9(6)15-11(14-7)16-10(17)8-4-18-5-13-8;/h1-3,8,13H,4-5H2,(H2,14,15,16,17);1H
InChIKeyPMADODPDZSQKFV-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.24
Rot. Bonds2

About N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119337642) has the molecular formula C11H12Cl2N4OS and a molecular weight of 319.22 g/mol. Its IUPAC name is N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119337642
Molecular FormulaC11H12Cl2N4OS
Molecular Weight319.22 g/mol
Exact Mass318.01
IUPAC NameN-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc2c(Cl)cccc2[nH]1)C1CSCN1
InChIInChI=1S/C11H11ClN4OS.ClH/c12-6-2-1-3-7-9(6)15-11(14-7)16-10(17)8-4-18-5-13-8;/h1-3,8,13H,4-5H2,(H2,14,15,16,17);1H
InChIKeyPMADODPDZSQKFV-UHFFFAOYSA-N
XLogP2.24
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119301279
N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 103094179
N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 103479490
N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide
CID 154800425
N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43697653
(2S,5R)-5-(aminomethyl)-N-(4-chloro-1H-benzimidazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120795331
N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 130628578
(2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride
CID 119808417
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
(4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124596361
(4S)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124596363

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119337642) is N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1nc2c(Cl)cccc2[nH]1)C1CSCN1.
What is the InChIKey of N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is PMADODPDZSQKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS.ClH/c12-6-2-1-3-7-9(6)15-11(14-7)16-10(17)8-4-18-5-13-8;/h1-3,8,13H,4-5H2,(H2,14,15,16,17);1H.
What are the key properties of N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 319.22 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119337642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).