N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C12H12Cl2N4OS2 — CID 119301279

IUPACN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(-c2ccccc2Cl)s1)C1CSCN1
InChIInChI=1S/C12H11ClN4OS2.ClH/c13-8-4-2-1-3-7(8)11-16-17-12(20-11)15-10(18)9-5-19-6-14-9;/h1-4,9,14H,5-6H2,(H,15,17,18);1H
InChIKeyRZUPNWLDNGDYNM-UHFFFAOYSA-N
MW363.30 g/mol
LogP2.88
Rot. Bonds3

About N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119301279) has the molecular formula C12H12Cl2N4OS2 and a molecular weight of 363.30 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119301279
Molecular FormulaC12H12Cl2N4OS2
Molecular Weight363.30 g/mol
Exact Mass361.98
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(-c2ccccc2Cl)s1)C1CSCN1
InChIInChI=1S/C12H11ClN4OS2.ClH/c13-8-4-2-1-3-7(8)11-16-17-12(20-11)15-10(18)9-5-19-6-14-9;/h1-4,9,14H,5-6H2,(H,15,17,18);1H
InChIKeyRZUPNWLDNGDYNM-UHFFFAOYSA-N
XLogP2.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 119301292
(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
2,2,2-tribromo-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19256598
N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119337642
N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 103094179
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide
CID 136516557
N-(2-phenylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24694917
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 19256591
N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 103479490
3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119745120
3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 119745140
[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamodithioic acid
CID 10827169

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119301279) is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1nnc(-c2ccccc2Cl)s1)C1CSCN1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is RZUPNWLDNGDYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4OS2.ClH/c13-8-4-2-1-3-7(8)11-16-17-12(20-11)15-10(18)9-5-19-6-14-9;/h1-4,9,14H,5-6H2,(H,15,17,18);1H.
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 363.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119301279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).