1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone

C13H14N2OS — CID 62750298

IUPAC1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)c2ccc(C)cc2)s1
InChIInChI=1S/C13H14N2OS/c1-9-4-6-11(7-5-9)15(3)13-14-8-12(17-13)10(2)16/h4-8H,1-3H3
InChIKeyVAAHBBRSVFHLBH-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.42
Rot. Bonds3

About 1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone

1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone (PubChem CID 62750298) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone
PubChem CID62750298
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)c2ccc(C)cc2)s1
InChIInChI=1S/C13H14N2OS/c1-9-4-6-11(7-5-9)15(3)13-14-8-12(17-13)10(2)16/h4-8H,1-3H3
InChIKeyVAAHBBRSVFHLBH-UHFFFAOYSA-N
XLogP3.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone (CID 62750298) is 1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N(C)c2ccc(C)cc2)s1.
What is the InChIKey of 1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is VAAHBBRSVFHLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-4-6-11(7-5-9)15(3)13-14-8-12(17-13)10(2)16/h4-8H,1-3H3.
What are the key properties of 1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone?
1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 246.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62750298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).