4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole

C5H3ClF3NS — CID 70865781

IUPAC4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole
SMILESCc1nsc(C(F)(F)F)c1Cl
InChIInChI=1S/C5H3ClF3NS/c1-2-3(6)4(11-10-2)5(7,8)9/h1H3
InChIKeyUAOPVUBFBCGVIK-UHFFFAOYSA-N
MW201.60 g/mol
LogP3.12
Rot. Bonds

About 4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole

4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole (PubChem CID 70865781) has the molecular formula C5H3ClF3NS and a molecular weight of 201.60 g/mol. Its IUPAC name is 4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Name4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole
PubChem CID70865781
Molecular FormulaC5H3ClF3NS
Molecular Weight201.60 g/mol
Exact Mass200.96
IUPAC Name4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole
SMILESCc1nsc(C(F)(F)F)c1Cl
InChIInChI=1S/C5H3ClF3NS/c1-2-3(6)4(11-10-2)5(7,8)9/h1H3
InChIKeyUAOPVUBFBCGVIK-UHFFFAOYSA-N
XLogP3.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.60
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole?
The IUPAC name of 4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole (CID 70865781) is 4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole.
What is the SMILES notation for 4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole?
The canonical SMILES for 4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole is Cc1nsc(C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole?
The InChIKey is UAOPVUBFBCGVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3NS/c1-2-3(6)4(11-10-2)5(7,8)9/h1H3.
What are the key properties of 4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole?
4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole has a molecular weight of 201.60 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-5-(trifluoromethyl)-1,2-thiazole is sourced from PubChem (CID 70865781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).