1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C11H16N4O4S — CID 122102928

IUPAC1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1nnc(NC(=O)N2CC(C)CC(C(=O)O)C2)s1
InChIInChI=1S/C11H16N4O4S/c1-6-3-7(8(16)17)5-15(4-6)10(18)12-9-13-14-11(19-2)20-9/h6-7H,3-5H2,1-2H3,(H,16,17)(H,12,13,18)
InChIKeyWOINPSDFXSYUOW-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.12
Rot. Bonds3

About 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122102928) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122102928
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1nnc(NC(=O)N2CC(C)CC(C(=O)O)C2)s1
InChIInChI=1S/C11H16N4O4S/c1-6-3-7(8(16)17)5-15(4-6)10(18)12-9-13-14-11(19-2)20-9/h6-7H,3-5H2,1-2H3,(H,16,17)(H,12,13,18)
InChIKeyWOINPSDFXSYUOW-UHFFFAOYSA-N
XLogP1.12
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102165
5-methyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122101924
1-[[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103218
1-[(5-methoxy-1,3-thiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103065
1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103250
tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate
CID 122131614
1-[(2-methoxy-6-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102972
1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102647
(3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 125138453
1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid
CID 106262326
1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101857
1-[(2-chloro-5-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102219

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122102928) is 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is COc1nnc(NC(=O)N2CC(C)CC(C(=O)O)C2)s1.
What is the InChIKey of 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is WOINPSDFXSYUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-6-3-7(8(16)17)5-15(4-6)10(18)12-9-13-14-11(19-2)20-9/h6-7H,3-5H2,1-2H3,(H,16,17)(H,12,13,18).
What are the key properties of 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122102928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).