5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole

C9H13F2NS — CID 134379644

IUPAC5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole
SMILESCCC(C)c1sc(C)nc1C(F)F
InChIInChI=1S/C9H13F2NS/c1-4-5(2)8-7(9(10)11)12-6(3)13-8/h5,9H,4H2,1-3H3
InChIKeyHLWKKGCVDFLKCA-UHFFFAOYSA-N
MW205.27 g/mol
LogP3.90
Rot. Bonds3

About 5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole

5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole (PubChem CID 134379644) has the molecular formula C9H13F2NS and a molecular weight of 205.27 g/mol. Its IUPAC name is 5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole
PubChem CID134379644
Molecular FormulaC9H13F2NS
Molecular Weight205.27 g/mol
Exact Mass205.07
IUPAC Name5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole
SMILESCCC(C)c1sc(C)nc1C(F)F
InChIInChI=1S/C9H13F2NS/c1-4-5(2)8-7(9(10)11)12-6(3)13-8/h5,9H,4H2,1-3H3
InChIKeyHLWKKGCVDFLKCA-UHFFFAOYSA-N
XLogP3.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole (CID 134379644) is 5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole is CCC(C)c1sc(C)nc1C(F)F.
What is the InChIKey of 5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole?
The InChIKey is HLWKKGCVDFLKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NS/c1-4-5(2)8-7(9(10)11)12-6(3)13-8/h5,9H,4H2,1-3H3.
What are the key properties of 5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole?
5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole has a molecular weight of 205.27 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 134379644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).