1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid

C12H17N3O3S — CID 65206261

IUPAC1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCCCc1nnsc1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H17N3O3S/c1-2-4-9-10(19-14-13-9)11(16)15-6-3-5-8(7-15)12(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyPLYNCRNZSJIRHO-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.43
Rot. Bonds4

About 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid

1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 65206261) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID65206261
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCCCc1nnsc1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H17N3O3S/c1-2-4-9-10(19-14-13-9)11(16)15-6-3-5-8(7-15)12(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyPLYNCRNZSJIRHO-UHFFFAOYSA-N
XLogP1.43
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide
CID 65205177
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511
[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 102983632
(3-aminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65210383
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 78919199
(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207236
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 114960514
2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 65206136
cyclobutyl-(4-propylthiadiazol-5-yl)methanone
CID 105133689
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059681
(3S)-1-(4-propylbenzoyl)piperidine-3-carboxylic acid
CID 98019288

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid (CID 65206261) is 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid is CCCc1nnsc1C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is PLYNCRNZSJIRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-4-9-10(19-14-13-9)11(16)15-6-3-5-8(7-15)12(17)18/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 65206261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).