1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid

C16H16N4O4S — CID 172909056

IUPAC1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(Nc1ccccc1)c1nnc(C(=O)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C16H16N4O4S/c21-12(17-11-6-2-1-3-7-11)13-18-19-14(25-13)15(22)20-8-4-5-10(9-20)16(23)24/h1-3,6-7,10H,4-5,8-9H2,(H,17,21)(H,23,24)
InChIKeyQUKXCBKEWXSZEP-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.73
Rot. Bonds4

About 1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid

1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid (PubChem CID 172909056) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid
PubChem CID172909056
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(Nc1ccccc1)c1nnc(C(=O)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C16H16N4O4S/c21-12(17-11-6-2-1-3-7-11)13-18-19-14(25-13)15(22)20-8-4-5-10(9-20)16(23)24/h1-3,6-7,10H,4-5,8-9H2,(H,17,21)(H,23,24)
InChIKeyQUKXCBKEWXSZEP-UHFFFAOYSA-N
XLogP1.73
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-phenyl-5-[(3S)-3-(pyridin-2-ylmethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890642
5-[(3S)-3-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890732
5-[(3S)-3-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890720
5-[(3S)-3-[(4-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890696
5-[(3R)-3-[[4-(dimethylamino)phenyl]methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890729
5-[(3S)-3-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890734
N-(4-methoxyphenyl)-5-[(3S)-3-(piperidine-1-carbonyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890782
5-[(3R)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890519
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid (CID 172909056) is 1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid is O=C(Nc1ccccc1)c1nnc(C(=O)N2CCCC(C(=O)O)C2)s1.
What is the InChIKey of 1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is QUKXCBKEWXSZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c21-12(17-11-6-2-1-3-7-11)13-18-19-14(25-13)15(22)20-8-4-5-10(9-20)16(23)24/h1-3,6-7,10H,4-5,8-9H2,(H,17,21)(H,23,24).
What are the key properties of 1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid?
1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 360.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 172909056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).