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

C23H29N5O3S — CID 46330582

IUPAC5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NC4CCCCC4)CC3)s2)cc1
InChIInChI=1S/C23H29N5O3S/c1-15-7-9-18(10-8-15)25-20(30)21-26-27-22(32-21)23(31)28-13-11-16(12-14-28)19(29)24-17-5-3-2-4-6-17/h7-10,16-17H,2-6,11-14H2,1H3,(H,24,29)(H,25,30)
InChIKeyXGUMRFTZYYOJKK-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.40
Rot. Bonds5

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

5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46330582) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is 5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID46330582
Molecular FormulaC23H29N5O3S
Molecular Weight455.58 g/mol
Exact Mass455.20
IUPAC Name5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NC4CCCCC4)CC3)s2)cc1
InChIInChI=1S/C23H29N5O3S/c1-15-7-9-18(10-8-15)25-20(30)21-26-27-22(32-21)23(31)28-13-11-16(12-14-28)19(29)24-17-5-3-2-4-6-17/h7-10,16-17H,2-6,11-14H2,1H3,(H,24,29)(H,25,30)
InChIKeyXGUMRFTZYYOJKK-UHFFFAOYSA-N
XLogP3.40
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3R)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890519
5-N-cycloheptyl-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353871
N-(4-chlorophenyl)-5-[3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 50788250
5-[(3S)-3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890744
5-[(3S)-3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890650
5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46330746
N-(4-methylphenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330816
N-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330593
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-[(3S)-1-(cyclohexylcarbamoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879607
5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46330926
N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890863

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 46330582) is 5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NC4CCCCC4)CC3)s2)cc1.
What is the InChIKey of 5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is XGUMRFTZYYOJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3S/c1-15-7-9-18(10-8-15)25-20(30)21-26-27-22(32-21)23(31)28-13-11-16(12-14-28)19(29)24-17-5-3-2-4-6-17/h7-10,16-17H,2-6,11-14H2,1H3,(H,24,29)(H,25,30).
What are the key properties of 5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46330582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).