(3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone

C11H7F2NOS — CID 105095166

IUPAC(3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)c2cc(F)cc(F)c2)cs1
InChIInChI=1S/C11H7F2NOS/c1-6-14-10(5-16-6)11(15)7-2-8(12)4-9(13)3-7/h2-5H,1H3
InChIKeySMTBVPMGQLPPRK-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.96
Rot. Bonds2

About (3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone

(3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 105095166) has the molecular formula C11H7F2NOS and a molecular weight of 239.25 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID105095166
Molecular FormulaC11H7F2NOS
Molecular Weight239.25 g/mol
Exact Mass239.02
IUPAC Name(3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)c2cc(F)cc(F)c2)cs1
InChIInChI=1S/C11H7F2NOS/c1-6-14-10(5-16-6)11(15)7-2-8(12)4-9(13)3-7/h2-5H,1H3
InChIKeySMTBVPMGQLPPRK-UHFFFAOYSA-N
XLogP2.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 105095166) is (3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)c2cc(F)cc(F)c2)cs1.
What is the InChIKey of (3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is SMTBVPMGQLPPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NOS/c1-6-14-10(5-16-6)11(15)7-2-8(12)4-9(13)3-7/h2-5H,1H3.
What are the key properties of (3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 239.25 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 105095166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).