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

C5H3ClF3NS — CID 54081093

IUPAC5-chloro-2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(Cl)s1
InChIInChI=1S/C5H3ClF3NS/c1-2-10-3(4(6)11-2)5(7,8)9/h1H3
InChIKeyMNEANXBPTMJIDD-UHFFFAOYSA-N
MW201.60 g/mol
LogP3.12
Rot. Bonds

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

5-chloro-2-methyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 54081093) has the molecular formula C5H3ClF3NS and a molecular weight of 201.60 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-methyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID54081093
Molecular FormulaC5H3ClF3NS
Molecular Weight201.60 g/mol
Exact Mass200.96
IUPAC Name5-chloro-2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(Cl)s1
InChIInChI=1S/C5H3ClF3NS/c1-2-10-3(4(6)11-2)5(7,8)9/h1H3
InChIKeyMNEANXBPTMJIDD-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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Related Compounds

2-Bromo-5-chloro-4-(trifluoromethyl)-1,3-thiazole
CID 68499784
2,5-Dichloro-4-methylthiazole
CID 14338689
2,5-Dichloro-4-chloromethylthiazole
CID 14338691
2,5-Dichloro-4-(difluoromethyl)-1,3-thiazole
CID 15646852
2,5-Dichloro-4-(trifluoromethyl)-1,3-thiazole
CID 15646853
2,5-Dichloro-4-[chloro(difluoro)methyl]-1,3-thiazole
CID 19907894
5-Chloro-2-fluoro-4-(trifluoromethyl)thiazole
CID 40427104
5-Chloro-4-(difluoromethyl)-1,3-thiazole
CID 54308067
CID 89327819
CID 89327819
5-Chloro-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 89692799
5-Chloro-2-iodo-4-(trifluoromethyl)-1,3-thiazole
CID 89701391
5-Iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 142157971

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-chloro-2-methyl-4-(trifluoromethyl)-1,3-thiazole (CID 54081093) is 5-chloro-2-methyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-chloro-2-methyl-4-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)c(Cl)s1.
What is the InChIKey of 5-chloro-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is MNEANXBPTMJIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3NS/c1-2-10-3(4(6)11-2)5(7,8)9/h1H3.
What are the key properties of 5-chloro-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
5-chloro-2-methyl-4-(trifluoromethyl)-1,3-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 5-chloro-2-methyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 54081093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).