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

C13H13ClN4OS — CID 119301292

IUPACN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)s1)C1CCCN1
InChIInChI=1S/C13H13ClN4OS/c14-9-5-2-1-4-8(9)12-17-18-13(20-12)16-11(19)10-6-3-7-15-10/h1-2,4-5,10,15H,3,6-7H2,(H,16,18,19)
InChIKeyKHGKDEZTPHDIAX-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.55
Rot. Bonds3

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

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 119301292) has the molecular formula C13H13ClN4OS and a molecular weight of 308.79 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID119301292
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)s1)C1CCCN1
InChIInChI=1S/C13H13ClN4OS/c14-9-5-2-1-4-8(9)12-17-18-13(20-12)16-11(19)10-6-3-7-15-10/h1-2,4-5,10,15H,3,6-7H2,(H,16,18,19)
InChIKeyKHGKDEZTPHDIAX-UHFFFAOYSA-N
XLogP2.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119301279
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide
CID 136516557
(2R)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;dihydrochloride
CID 119855707
N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 119325701
N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide
CID 123475195
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321154
3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119745120
2,2,2-tribromo-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19256598
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 19256591
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119745133
(2R)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 130763232
(2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 130962020

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 119301292) is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is O=C(Nc1nnc(-c2ccccc2Cl)s1)C1CCCN1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is KHGKDEZTPHDIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c14-9-5-2-1-4-8(9)12-17-18-13(20-12)16-11(19)10-6-3-7-15-10/h1-2,4-5,10,15H,3,6-7H2,(H,16,18,19).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119301292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).