1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid

C9H13N3O2S — CID 65209414

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
SMILESCc1nnc(N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C9H13N3O2S/c1-6-10-11-9(15-6)12-4-2-7(3-5-12)8(13)14/h7H,2-5H2,1H3,(H,13,14)
InChIKeyOESLEXFQJWOMGZ-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.15
Rot. Bonds2

About 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid

1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid (PubChem CID 65209414) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
PubChem CID65209414
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
SMILESCc1nnc(N2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C9H13N3O2S/c1-6-10-11-9(15-6)12-4-2-7(3-5-12)8(13)14/h7H,2-5H2,1H3,(H,13,14)
InChIKeyOESLEXFQJWOMGZ-UHFFFAOYSA-N
XLogP1.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 64914175
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 6917210
2-(4-bromopiperidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 80674326
ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate
CID 133394837
[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165434746
(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 97009426
N,N-diethyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide
CID 75519593
(3S,4S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 72902224
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 133366067
methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 146382334
2-[4-(benzenesulfonyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 139022993
2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 108780894

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid (CID 65209414) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid is Cc1nnc(N2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid?
The InChIKey is OESLEXFQJWOMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-10-11-9(15-6)12-4-2-7(3-5-12)8(13)14/h7H,2-5H2,1H3,(H,13,14).
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid?
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid has a molecular weight of 227.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65209414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).