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

C10H15N3O2S — CID 122558218

IUPAC1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCc1nnc(CN2CCCCC2C(=O)O)s1
InChIInChI=1S/C10H15N3O2S/c1-7-11-12-9(16-7)6-13-5-3-2-4-8(13)10(14)15/h8H,2-6H2,1H3,(H,14,15)
InChIKeyBDAZUQYUAKUZCM-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.29
Rot. Bonds3

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

1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 122558218) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid
PubChem CID122558218
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCc1nnc(CN2CCCCC2C(=O)O)s1
InChIInChI=1S/C10H15N3O2S/c1-7-11-12-9(16-7)6-13-5-3-2-4-8(13)10(14)15/h8H,2-6H2,1H3,(H,14,15)
InChIKeyBDAZUQYUAKUZCM-UHFFFAOYSA-N
XLogP1.29
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide
CID 125136303
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide
CID 80606498
1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 71649579
1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441678
2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136328
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441669
ethyl 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxylate
CID 80611294
1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 80606665
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid
CID 43441270
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
1-[(2,4-dimethylphenyl)methyl]azepane-2-carboxylic acid
CID 65069954
1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 3567372

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid (CID 122558218) is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid is Cc1nnc(CN2CCCCC2C(=O)O)s1.
What is the InChIKey of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is BDAZUQYUAKUZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7-11-12-9(16-7)6-13-5-3-2-4-8(13)10(14)15/h8H,2-6H2,1H3,(H,14,15).
What are the key properties of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid?
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.29, 3 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)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 122558218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).