1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone

C15H18N2OS — CID 62752167

IUPAC1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCCN(c1ccc(C)cc1)c1nc(C)c(C(C)=O)s1
InChIInChI=1S/C15H18N2OS/c1-5-17(13-8-6-10(2)7-9-13)15-16-11(3)14(19-15)12(4)18/h6-9H,5H2,1-4H3
InChIKeySRYJWGBTROTWOV-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.12
Rot. Bonds4

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

1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 62752167) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID62752167
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCCN(c1ccc(C)cc1)c1nc(C)c(C(C)=O)s1
InChIInChI=1S/C15H18N2OS/c1-5-17(13-8-6-10(2)7-9-13)15-16-11(3)14(19-15)12(4)18/h6-9H,5H2,1-4H3
InChIKeySRYJWGBTROTWOV-UHFFFAOYSA-N
XLogP4.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 62752167) is 1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone is CCN(c1ccc(C)cc1)c1nc(C)c(C(C)=O)s1.
What is the InChIKey of 1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is SRYJWGBTROTWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-5-17(13-8-6-10(2)7-9-13)15-16-11(3)14(19-15)12(4)18/h6-9H,5H2,1-4H3.
What are the key properties of 1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 274.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62752167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).