1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid

C12H13N3O3S2 — CID 122084976

IUPAC1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2nc3ccsc3s2)C1
InChIInChI=1S/C12H13N3O3S2/c16-9(17)7-2-1-4-15(6-7)12(18)14-11-13-8-3-5-19-10(8)20-11/h3,5,7H,1-2,4,6H2,(H,16,17)(H,13,14,18)
InChIKeySVFCRNNZJCSKNJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.69
Rot. Bonds2

About 1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid

1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 122084976) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID122084976
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Name1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2nc3ccsc3s2)C1
InChIInChI=1S/C12H13N3O3S2/c16-9(17)7-2-1-4-15(6-7)12(18)14-11-13-8-3-5-19-10(8)20-11/h3,5,7H,1-2,4,6H2,(H,16,17)(H,13,14,18)
InChIKeySVFCRNNZJCSKNJ-UHFFFAOYSA-N
XLogP2.69
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81119979
(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118220
1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122077497
1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122092678
1-[[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122087159
1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 54962570
1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122079292
1-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122079760
1-[(5-propyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122088976
1-(1,3-benzothiazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122078635

Frequently Asked Questions

What is the IUPAC name of 1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid (CID 122084976) is 1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Nc2nc3ccsc3s2)C1.
What is the InChIKey of 1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is SVFCRNNZJCSKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c16-9(17)7-2-1-4-15(6-7)12(18)14-11-13-8-3-5-19-10(8)20-11/h3,5,7H,1-2,4,6H2,(H,16,17)(H,13,14,18).
What are the key properties of 1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid?
1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 311.39 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122084976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).