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

C5H4ClF2NS2 — CID 71370013

IUPAC5-chloro-2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole
SMILESCc1nc(SC(F)F)sc1Cl
InChIInChI=1S/C5H4ClF2NS2/c1-2-3(6)10-5(9-2)11-4(7)8/h4H,1H3
InChIKeyXPUQBLQXTDQOMC-UHFFFAOYSA-N
MW215.68 g/mol
LogP3.42
Rot. Bonds2

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

5-chloro-2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole (PubChem CID 71370013) has the molecular formula C5H4ClF2NS2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole
PubChem CID71370013
Molecular FormulaC5H4ClF2NS2
Molecular Weight215.68 g/mol
Exact Mass214.94
IUPAC Name5-chloro-2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole
SMILESCc1nc(SC(F)F)sc1Cl
InChIInChI=1S/C5H4ClF2NS2/c1-2-3(6)10-5(9-2)11-4(7)8/h4H,1H3
InChIKeyXPUQBLQXTDQOMC-UHFFFAOYSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dichloro-4-methylthiazole
CID 14338689
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
2-Chloro-4-(trifluoromethyl)-1,3-thiazole-5-thiol;methane
CID 20505775
5-Chloro-2-(4,4-difluorobut-3-enylsulfanyl)-4-methyl-1,3-thiazole
CID 21850395
5-Chloro-2-fluoro-4-(trifluoromethyl)thiazole
CID 40427104
5-Chloro-2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 54081093
5-Chloro-4-(difluoromethyl)-1,3-thiazole
CID 54308067
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-chloro-4-(chloromethyl)-2-[(E)-3,4,4-trifluorobut-1-enyl]sulfanyl-1,3-thiazole
CID 142226391

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-chloro-2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole (CID 71370013) is 5-chloro-2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-chloro-2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole is Cc1nc(SC(F)F)sc1Cl.
What is the InChIKey of 5-chloro-2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole?
The InChIKey is XPUQBLQXTDQOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2NS2/c1-2-3(6)10-5(9-2)11-4(7)8/h4H,1H3.
What are the key properties of 5-chloro-2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole?
5-chloro-2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole has a molecular weight of 215.68 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 71370013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).