(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid

C13H17N3O3S — CID 81126323

IUPAC(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)Nc2nc3c(s2)CCC3)C1
InChIInChI=1S/C13H17N3O3S/c17-11(18)8-3-2-6-16(7-8)13(19)15-12-14-9-4-1-5-10(9)20-12/h8H,1-7H2,(H,17,18)(H,14,15,19)/t8-/m0/s1
InChIKeyFJUQTBZAKFKMNZ-QMMMGPOBSA-N
MW295.36 g/mol
LogP1.96
Rot. Bonds2

About (3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid

(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 81126323) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is (3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID81126323
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)Nc2nc3c(s2)CCC3)C1
InChIInChI=1S/C13H17N3O3S/c17-11(18)8-3-2-6-16(7-8)13(19)15-12-14-9-4-1-5-10(9)20-12/h8H,1-7H2,(H,17,18)(H,14,15,19)/t8-/m0/s1
InChIKeyFJUQTBZAKFKMNZ-QMMMGPOBSA-N
XLogP1.96
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
CID 91641522
ethyl 1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylate
CID 102556073
(3R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 154843637
(3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94155243
ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 42948294
9-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 86778048
1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122084976
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71705168
(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81119979
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 126946397

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid (CID 81126323) is (3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)Nc2nc3c(s2)CCC3)C1.
What is the InChIKey of (3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is FJUQTBZAKFKMNZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-11(18)8-3-2-6-16(7-8)13(19)15-12-14-9-4-1-5-10(9)20-12/h8H,1-7H2,(H,17,18)(H,14,15,19)/t8-/m0/s1.
What are the key properties of (3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 295.36 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81126323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).