[3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone

C15H13F2NOS — CID 162692044

IUPAC[3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(C2CCC2)nsc1C(F)F
InChIInChI=1S/C15H13F2NOS/c16-15(17)14-11(12(18-20-14)9-7-4-8-9)13(19)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2
InChIKeyIKPYGWZODDMTFY-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.58
Rot. Bonds4

About [3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone

[3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone (PubChem CID 162692044) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is [3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone
PubChem CID162692044
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name[3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(C2CCC2)nsc1C(F)F
InChIInChI=1S/C15H13F2NOS/c16-15(17)14-11(12(18-20-14)9-7-4-8-9)13(19)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2
InChIKeyIKPYGWZODDMTFY-UHFFFAOYSA-N
XLogP4.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone?
The IUPAC name of [3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone (CID 162692044) is [3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone.
What is the SMILES notation for [3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone?
The canonical SMILES for [3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone is O=C(c1ccccc1)c1c(C2CCC2)nsc1C(F)F.
What is the InChIKey of [3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone?
The InChIKey is IKPYGWZODDMTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS/c16-15(17)14-11(12(18-20-14)9-7-4-8-9)13(19)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2.
What are the key properties of [3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone?
[3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone has a molecular weight of 293.34 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclobutyl-5-(difluoromethyl)-1,2-thiazol-4-yl]-phenylmethanone is sourced from PubChem (CID 162692044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).