1-(3-phenyl-1,2-thiazol-5-yl)ethanone

C11H9NOS — CID 121218421

IUPAC1-(3-phenyl-1,2-thiazol-5-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)ns1
InChIInChI=1S/C11H9NOS/c1-8(13)11-7-10(12-14-11)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyLLXRBAOHJMSTEW-UHFFFAOYSA-N
MW203.27 g/mol
LogP3.01
Rot. Bonds2

About 1-(3-phenyl-1,2-thiazol-5-yl)ethanone

1-(3-phenyl-1,2-thiazol-5-yl)ethanone (PubChem CID 121218421) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-(3-phenyl-1,2-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-phenyl-1,2-thiazol-5-yl)ethanone
PubChem CID121218421
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name1-(3-phenyl-1,2-thiazol-5-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)ns1
InChIInChI=1S/C11H9NOS/c1-8(13)11-7-10(12-14-11)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyLLXRBAOHJMSTEW-UHFFFAOYSA-N
XLogP3.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-2-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]butanoic acid
CID 119368095
N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
CID 120826646
methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate
CID 13073226
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
CID 120946394
N-[(4-cyanophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide
CID 90070616
3-(4-methylphenyl)-5-phenyl-1,2-thiazole
CID 155774637
2-[4-[(3-phenyl-1,2-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 138033265
N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide
CID 71864926
1-azulen-2-ylethanone
CID 15255141
N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 167970393
1-(3,6-diphenylpyrazin-2-yl)ethanone
CID 15500396
1-(5-phenylpyrazin-2-yl)ethanone
CID 15500391

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1,2-thiazol-5-yl)ethanone?
The IUPAC name of 1-(3-phenyl-1,2-thiazol-5-yl)ethanone (CID 121218421) is 1-(3-phenyl-1,2-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-phenyl-1,2-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(3-phenyl-1,2-thiazol-5-yl)ethanone is CC(=O)c1cc(-c2ccccc2)ns1.
What is the InChIKey of 1-(3-phenyl-1,2-thiazol-5-yl)ethanone?
The InChIKey is LLXRBAOHJMSTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-8(13)11-7-10(12-14-11)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 1-(3-phenyl-1,2-thiazol-5-yl)ethanone?
1-(3-phenyl-1,2-thiazol-5-yl)ethanone has a molecular weight of 203.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1,2-thiazol-5-yl)ethanone is sourced from PubChem (CID 121218421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).