1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid

C13H16F2N2O2S — CID 166267914

IUPAC1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2scnc2C2CC2)CC(F)(F)C1
InChIInChI=1S/C13H16F2N2O2S/c14-13(15)3-9(12(18)19)4-17(6-13)5-10-11(8-1-2-8)16-7-20-10/h7-9H,1-6H2,(H,18,19)
InChIKeySXOOZLPFQWVPFG-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.56
Rot. Bonds4

About 1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid

1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid (PubChem CID 166267914) has the molecular formula C13H16F2N2O2S and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid
PubChem CID166267914
Molecular FormulaC13H16F2N2O2S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2scnc2C2CC2)CC(F)(F)C1
InChIInChI=1S/C13H16F2N2O2S/c14-13(15)3-9(12(18)19)4-17(6-13)5-10-11(8-1-2-8)16-7-20-10/h7-9H,1-6H2,(H,18,19)
InChIKeySXOOZLPFQWVPFG-UHFFFAOYSA-N
XLogP2.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836180
4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120840116
1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid
CID 166267923
2-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindole-4-carboxylic acid
CID 166287839
4-cyclopropyl-5-(3,9-diazabicyclo[3.3.1]nonan-3-ylmethyl)-1,3-thiazole;hydrochloride
CID 120845757
(3S,4R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120846852
(3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 120846033
5,5-difluoro-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 166267949
5,5-difluoro-1-[(5-fluoro-2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 166267915
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120834719
methyl (3S)-1-benzyl-5,5-difluoropiperidine-3-carboxylate
CID 97357046
2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine
CID 120846309

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid (CID 166267914) is 1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid is O=C(O)C1CN(Cc2scnc2C2CC2)CC(F)(F)C1.
What is the InChIKey of 1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid?
The InChIKey is SXOOZLPFQWVPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2S/c14-13(15)3-9(12(18)19)4-17(6-13)5-10-11(8-1-2-8)16-7-20-10/h7-9H,1-6H2,(H,18,19).
What are the key properties of 1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid?
1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid is sourced from PubChem (CID 166267914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).