(4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone

C13H12FNO2S — CID 102361642

IUPAC(4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2nc(C)c(C)s2)cc1F
InChIInChI=1S/C13H12FNO2S/c1-7-8(2)18-13(15-7)12(16)9-4-5-11(17-3)10(14)6-9/h4-6H,1-3H3
InChIKeyNMSQXOXVSFVCKB-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.14
Rot. Bonds3

About (4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone

(4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 102361642) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID102361642
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name(4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2nc(C)c(C)s2)cc1F
InChIInChI=1S/C13H12FNO2S/c1-7-8(2)18-13(15-7)12(16)9-4-5-11(17-3)10(14)6-9/h4-6H,1-3H3
InChIKeyNMSQXOXVSFVCKB-UHFFFAOYSA-N
XLogP3.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone (CID 102361642) is (4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2nc(C)c(C)s2)cc1F.
What is the InChIKey of (4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is NMSQXOXVSFVCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-7-8(2)18-13(15-7)12(16)9-4-5-11(17-3)10(14)6-9/h4-6H,1-3H3.
What are the key properties of (4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone?
(4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 265.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-thiazol-2-yl)-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 102361642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).