N-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

C25H27N5O3S — CID 46330593

IUPACN-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NCc4ccccc4C)CC3)s2)cc1
InChIInChI=1S/C25H27N5O3S/c1-16-7-9-20(10-8-16)27-22(32)23-28-29-24(34-23)25(33)30-13-11-18(12-14-30)21(31)26-15-19-6-4-3-5-17(19)2/h3-10,18H,11-15H2,1-2H3,(H,26,31)(H,27,32)
InChIKeySOEZVIUHUUKRSL-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.58
Rot. Bonds6

About N-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

N-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46330593) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID46330593
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC NameN-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NCc4ccccc4C)CC3)s2)cc1
InChIInChI=1S/C25H27N5O3S/c1-16-7-9-20(10-8-16)27-22(32)23-28-29-24(34-23)25(33)30-13-11-18(12-14-30)21(31)26-15-19-6-4-3-5-17(19)2/h3-10,18H,11-15H2,1-2H3,(H,26,31)(H,27,32)
InChIKeySOEZVIUHUUKRSL-UHFFFAOYSA-N
XLogP3.58
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3S)-3-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890732
5-[4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330679
N-(4-chlorophenyl)-5-[4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46331057
5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330582
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
N-(4-methylphenyl)-5-[(3R)-3-[(3-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890523
N-(4-methylphenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330816
5-[(3R)-3-[(4-ethylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890565
5-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92871484
5-[(3R)-3-[(4-chlorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890497
5-[(3S)-3-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890720
5-[3-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50787281

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (CID 46330593) is N-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NCc4ccccc4C)CC3)s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SOEZVIUHUUKRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-16-7-9-20(10-8-16)27-22(32)23-28-29-24(34-23)25(33)30-13-11-18(12-14-30)21(31)26-15-19-6-4-3-5-17(19)2/h3-10,18H,11-15H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of N-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?
N-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46330593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).