5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

C20H24FN5O3S — CID 46330491

IUPAC5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCC(C)NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1
InChIInChI=1S/C20H24FN5O3S/c1-3-12(2)22-16(27)13-8-10-26(11-9-13)20(29)19-25-24-18(30-19)17(28)23-15-6-4-14(21)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyGPKFTNHADUTECD-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.70
Rot. Bonds6

About 5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46330491) has the molecular formula C20H24FN5O3S and a molecular weight of 433.51 g/mol. Its IUPAC name is 5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID46330491
Molecular FormulaC20H24FN5O3S
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCC(C)NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1
InChIInChI=1S/C20H24FN5O3S/c1-3-12(2)22-16(27)13-8-10-26(11-9-13)20(29)19-25-24-18(30-19)17(28)23-15-6-4-14(21)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyGPKFTNHADUTECD-UHFFFAOYSA-N
XLogP2.70
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330582
(3S)-3-N-[(2R)-butan-2-yl]-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7435345
5-[4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330679
N-(4-methylphenyl)-5-[4-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330593
N-(4-fluorophenyl)-5-[3-(2-pyrrolidin-1-ylethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 50787215
N-[4-(butan-2-ylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223986
N-(4-methylphenyl)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330816
N-(4-fluorophenyl)-5-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330783
N-(4-fluorophenyl)-5-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330796
N-(4-fluorophenyl)-5-[(3R)-3-[(5-methylfuran-2-yl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92871514
N-(4-fluorophenyl)-5-[(3R)-3-[(2-methoxyphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890455

Frequently Asked Questions

What is the IUPAC name of 5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide (CID 46330491) is 5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide is CCC(C)NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1.
What is the InChIKey of 5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is GPKFTNHADUTECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O3S/c1-3-12(2)22-16(27)13-8-10-26(11-9-13)20(29)19-25-24-18(30-19)17(28)23-15-6-4-14(21)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,27)(H,23,28).
What are the key properties of 5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(butan-2-ylcarbamoyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46330491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).