5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole

C6H7F2NS — CID 146290459

IUPAC5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(C(F)F)s1
InChIInChI=1S/C6H7F2NS/c1-3-5(6(7)8)10-4(2)9-3/h6H,1-2H3
InChIKeySEXFTSIETWQLNQ-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.70
Rot. Bonds1

About 5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole

5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole (PubChem CID 146290459) has the molecular formula C6H7F2NS and a molecular weight of 163.19 g/mol. Its IUPAC name is 5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole
PubChem CID146290459
Molecular FormulaC6H7F2NS
Molecular Weight163.19 g/mol
Exact Mass163.03
IUPAC Name5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(C(F)F)s1
InChIInChI=1S/C6H7F2NS/c1-3-5(6(7)8)10-4(2)9-3/h6H,1-2H3
InChIKeySEXFTSIETWQLNQ-UHFFFAOYSA-N
XLogP2.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole (CID 146290459) is 5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(C(F)F)s1.
What is the InChIKey of 5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole?
The InChIKey is SEXFTSIETWQLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NS/c1-3-5(6(7)8)10-4(2)9-3/h6H,1-2H3.
What are the key properties of 5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole?
5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole has a molecular weight of 163.19 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 146290459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).