3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide

C8H8F4N2OS — CID 99795522

IUPAC3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H8F4N2OS/c1-4-5(2-16-14-4)6(15)13-3-8(11,12)7(9)10/h2,7H,3H2,1H3,(H,13,15)
InChIKeySZDWULOTXONPFW-UHFFFAOYSA-N
MW256.22 g/mol
LogP2.08
Rot. Bonds4

About 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide

3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide (PubChem CID 99795522) has the molecular formula C8H8F4N2OS and a molecular weight of 256.22 g/mol. Its IUPAC name is 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide
PubChem CID99795522
Molecular FormulaC8H8F4N2OS
Molecular Weight256.22 g/mol
Exact Mass256.03
IUPAC Name3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H8F4N2OS/c1-4-5(2-16-14-4)6(15)13-3-8(11,12)7(9)10/h2,7H,3H2,1H3,(H,13,15)
InChIKeySZDWULOTXONPFW-UHFFFAOYSA-N
XLogP2.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide 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 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide (CID 99795522) is 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide?
The InChIKey is SZDWULOTXONPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2OS/c1-4-5(2-16-14-4)6(15)13-3-8(11,12)7(9)10/h2,7H,3H2,1H3,(H,13,15).
What are the key properties of 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide?
3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide has a molecular weight of 256.22 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 99795522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).