1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone

C12H11NOS — CID 5324800

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone
SMILESCc1csc(C(=O)Cc2ccccc2)n1
InChIInChI=1S/C12H11NOS/c1-9-8-15-12(13-9)11(14)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyQRMGDSZJMACUFR-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone

1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone (PubChem CID 5324800) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone
PubChem CID5324800
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone
SMILESCc1csc(C(=O)Cc2ccccc2)n1
InChIInChI=1S/C12H11NOS/c1-9-8-15-12(13-9)11(14)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyQRMGDSZJMACUFR-UHFFFAOYSA-N
XLogP2.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone (CID 5324800) is 1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone is Cc1csc(C(=O)Cc2ccccc2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone?
The InChIKey is QRMGDSZJMACUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-9-8-15-12(13-9)11(14)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone?
1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone has a molecular weight of 217.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanone is sourced from PubChem (CID 5324800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).