4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one

C15H17NO2S — CID 113391216

IUPAC4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one
SMILESCOC(C)CC(=O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H17NO2S/c1-11(18-2)8-13(17)9-15-16-14(10-19-15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyJCVHCSPFBJIPSW-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.35
Rot. Bonds6

About 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one

4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one (PubChem CID 113391216) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one
PubChem CID113391216
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one
SMILESCOC(C)CC(=O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H17NO2S/c1-11(18-2)8-13(17)9-15-16-14(10-19-15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyJCVHCSPFBJIPSW-UHFFFAOYSA-N
XLogP3.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 105164412
3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one
CID 116554751
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-propan-2-ylsulfonylbutan-2-one
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2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone
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4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
methyl (4-phenyl-1,3-thiazol-2-yl)methanesulfonate
CID 175209134
1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 103449748
N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one?
The IUPAC name of 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one (CID 113391216) is 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one.
What is the SMILES notation for 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one?
The canonical SMILES for 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one is COC(C)CC(=O)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one?
The InChIKey is JCVHCSPFBJIPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11(18-2)8-13(17)9-15-16-14(10-19-15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one?
4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one has a molecular weight of 275.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one is sourced from PubChem (CID 113391216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).