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

C14H22N4O3S — CID 122102165

IUPAC1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2nnc(C(C)(C)C)s2)C1
InChIInChI=1S/C14H22N4O3S/c1-8-5-9(10(19)20)7-18(6-8)13(21)15-12-17-16-11(22-12)14(2,3)4/h8-9H,5-7H2,1-4H3,(H,19,20)(H,15,17,21)
InChIKeyUJGKDWUWUADBPY-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.41
Rot. Bonds2

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

1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122102165) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122102165
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2nnc(C(C)(C)C)s2)C1
InChIInChI=1S/C14H22N4O3S/c1-8-5-9(10(19)20)7-18(6-8)13(21)15-12-17-16-11(22-12)14(2,3)4/h8-9H,5-7H2,1-4H3,(H,19,20)(H,15,17,21)
InChIKeyUJGKDWUWUADBPY-UHFFFAOYSA-N
XLogP2.41
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122101924
1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102928
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
3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55978635
1-[[5-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103250
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-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074085
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122102165) is 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Nc2nnc(C(C)(C)C)s2)C1.
What is the InChIKey of 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is UJGKDWUWUADBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-8-5-9(10(19)20)7-18(6-8)13(21)15-12-17-16-11(22-12)14(2,3)4/h8-9H,5-7H2,1-4H3,(H,19,20)(H,15,17,21).
What are the key properties of 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 326.42 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122102165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).