N-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide

C20H24ClN5O2S — CID 53072432

IUPACN-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nnc(C2CCCN2C(=O)NC2CCCCC2)s1
InChIInChI=1S/C20H24ClN5O2S/c21-13-8-10-15(11-9-13)22-17(27)19-25-24-18(29-19)16-7-4-12-26(16)20(28)23-14-5-2-1-3-6-14/h8-11,14,16H,1-7,12H2,(H,22,27)(H,23,28)
InChIKeyAXFXJWWSFSSPOM-UHFFFAOYSA-N
MW433.97 g/mol
LogP4.62
Rot. Bonds4

About N-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide

N-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 53072432) has the molecular formula C20H24ClN5O2S and a molecular weight of 433.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID53072432
Molecular FormulaC20H24ClN5O2S
Molecular Weight433.97 g/mol
Exact Mass433.13
IUPAC NameN-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nnc(C2CCCN2C(=O)NC2CCCCC2)s1
InChIInChI=1S/C20H24ClN5O2S/c21-13-8-10-15(11-9-13)22-17(27)19-25-24-18(29-19)16-7-4-12-26(16)20(28)23-14-5-2-1-3-6-14/h8-11,14,16H,1-7,12H2,(H,22,27)(H,23,28)
InChIKeyAXFXJWWSFSSPOM-UHFFFAOYSA-N
XLogP4.62
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.97
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-2-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95070750
N-(4-chlorophenyl)-5-[(2R)-1-[(3-methylphenyl)carbamoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95070637
N-(4-chlorophenyl)-5-[(2S)-1-[[(2R)-oxolan-2-yl]methylcarbamoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95070847
N-(4-chlorophenyl)-5-[(2R)-1-(3-methoxypropylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95070647
N-phenyl-5-[1-(phenylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072507
N-(4-chlorophenyl)-5-[(2R)-1-[(2-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95070605
N-(4-chlorophenyl)-5-[1-(2-fluorobenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072169
5-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53072237
N-(4-chlorophenyl)-5-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95071383
5-[(2S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]pyrrolidin-2-yl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95070885
5-[(3S)-1-(cyclohexylcarbamoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879607
ethyl 3-[[(2S)-2-[5-[(4-chlorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carbonyl]amino]benzoate
CID 95070630

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide (CID 53072432) is N-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1nnc(C2CCCN2C(=O)NC2CCCCC2)s1.
What is the InChIKey of N-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is AXFXJWWSFSSPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2S/c21-13-8-10-15(11-9-13)22-17(27)19-25-24-18(29-19)16-7-4-12-26(16)20(28)23-14-5-2-1-3-6-14/h8-11,14,16H,1-7,12H2,(H,22,27)(H,23,28).
What are the key properties of N-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide?
N-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 433.97 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[1-(cyclohexylcarbamoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 53072432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).