3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole

C7H9F2NS — CID 176699706

IUPAC3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole
SMILESCC(C)c1cc(C(F)F)ns1
InChIInChI=1S/C7H9F2NS/c1-4(2)6-3-5(7(8)9)10-11-6/h3-4,7H,1-2H3
InChIKeyLTWTWYJYOSCUSE-UHFFFAOYSA-N
MW177.22 g/mol
LogP3.20
Rot. Bonds2

About 3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole

3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole (PubChem CID 176699706) has the molecular formula C7H9F2NS and a molecular weight of 177.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole
PubChem CID176699706
Molecular FormulaC7H9F2NS
Molecular Weight177.22 g/mol
Exact Mass177.04
IUPAC Name3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole
SMILESCC(C)c1cc(C(F)F)ns1
InChIInChI=1S/C7H9F2NS/c1-4(2)6-3-5(7(8)9)10-11-6/h3-4,7H,1-2H3
InChIKeyLTWTWYJYOSCUSE-UHFFFAOYSA-N
XLogP3.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole?
The IUPAC name of 3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole (CID 176699706) is 3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole.
What is the SMILES notation for 3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole?
The canonical SMILES for 3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole is CC(C)c1cc(C(F)F)ns1.
What is the InChIKey of 3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole?
The InChIKey is LTWTWYJYOSCUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NS/c1-4(2)6-3-5(7(8)9)10-11-6/h3-4,7H,1-2H3.
What are the key properties of 3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole?
3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole has a molecular weight of 177.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 176699706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).