4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid

C8H8F3NO2S2 — CID 64554779

IUPAC4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(SCCC(F)(F)F)sc1C(=O)O
InChIInChI=1S/C8H8F3NO2S2/c1-4-5(6(13)14)16-7(12-4)15-3-2-8(9,10)11/h2-3H2,1H3,(H,13,14)
InChIKeyCXGAVXMGJOVLHT-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.19
Rot. Bonds4

About 4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 64554779) has the molecular formula C8H8F3NO2S2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid
PubChem CID64554779
Molecular FormulaC8H8F3NO2S2
Molecular Weight271.29 g/mol
Exact Mass270.99
IUPAC Name4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(SCCC(F)(F)F)sc1C(=O)O
InChIInChI=1S/C8H8F3NO2S2/c1-4-5(6(13)14)16-7(12-4)15-3-2-8(9,10)11/h2-3H2,1H3,(H,13,14)
InChIKeyCXGAVXMGJOVLHT-UHFFFAOYSA-N
XLogP3.19
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid (CID 64554779) is 4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid is Cc1nc(SCCC(F)(F)F)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is CXGAVXMGJOVLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S2/c1-4-5(6(13)14)16-7(12-4)15-3-2-8(9,10)11/h2-3H2,1H3,(H,13,14).
What are the key properties of 4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 271.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 64554779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).