formamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole

C6H7F3N2OS — CID 161450450

IUPACformamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)cs1.NC=O
InChIInChI=1S/C5H4F3NS.CH3NO/c1-3-9-4(2-10-3)5(6,7)8;2-1-3/h2H,1H3;1H,(H2,2,3)
InChIKeyWALQASYVJHXOIK-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.57
Rot. Bonds

About formamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole

formamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 161450450) has the molecular formula C6H7F3N2OS and a molecular weight of 212.20 g/mol. Its IUPAC name is formamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Nameformamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID161450450
Molecular FormulaC6H7F3N2OS
Molecular Weight212.20 g/mol
Exact Mass212.02
IUPAC Nameformamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)cs1.NC=O
InChIInChI=1S/C5H4F3NS.CH3NO/c1-3-9-4(2-10-3)5(6,7)8;2-1-3/h2H,1H3;1H,(H2,2,3)
InChIKeyWALQASYVJHXOIK-UHFFFAOYSA-N
XLogP1.57
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze formamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole 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

Methyl(((4-(trifluoromethyl)-1,3-thiazol-2-yl)methyl))amine
CID 3353222
(4-(Trifluoromethyl)-1,3-thiazol-2-yl)methanamine
CID 3908018
2-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]ethan-1-amine
CID 4033439
2-Methyl-4-(trifluoromethyl)-1,3-thiazole
CID 15717201
2-(Difluoromethoxy)-4-methyl-1,3-thiazole
CID 20719786
[4-(Trifluoromethyl)-1,3-thiazol-2-yl]methanamine hydrochloride
CID 54594170
2-Methoxy-4-(trifluoromethyl)-1,3-thiazole
CID 59710653
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 156513582
2-methylpropane;N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]formamide
CID 166529024
Formyl chloride;2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 174684788
2,2,2-trifluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 62490774
1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82722727

Frequently Asked Questions

What is the IUPAC name of formamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of formamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole (CID 161450450) is formamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for formamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for formamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)cs1.NC=O.
What is the InChIKey of formamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is WALQASYVJHXOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NS.CH3NO/c1-3-9-4(2-10-3)5(6,7)8;2-1-3/h2H,1H3;1H,(H2,2,3).
What are the key properties of formamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole?
formamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 212.20 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;2-methyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 161450450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).