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

C14H16N2OS — CID 64543825

IUPAC1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone
SMILESCCc1ccc(N(C)c2nc(C(C)=O)cs2)cc1
InChIInChI=1S/C14H16N2OS/c1-4-11-5-7-12(8-6-11)16(3)14-15-13(9-18-14)10(2)17/h5-9H,4H2,1-3H3
InChIKeySOSRGKPALRQLHV-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.68
Rot. Bonds4

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

1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone (PubChem CID 64543825) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone
PubChem CID64543825
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone
SMILESCCc1ccc(N(C)c2nc(C(C)=O)cs2)cc1
InChIInChI=1S/C14H16N2OS/c1-4-11-5-7-12(8-6-11)16(3)14-15-13(9-18-14)10(2)17/h5-9H,4H2,1-3H3
InChIKeySOSRGKPALRQLHV-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone
CID 64544213
1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 55113709
4-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 64544768
1-[2-(3-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone
CID 64544622
1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544014
2-(4-cyano-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80568771
1-[2-(2-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone
CID 64543031
1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64542419
1-[2-[bis(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543850
methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
CID 62003650
1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544241
ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80575049

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone (CID 64543825) is 1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone is CCc1ccc(N(C)c2nc(C(C)=O)cs2)cc1.
What is the InChIKey of 1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone?
The InChIKey is SOSRGKPALRQLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-4-11-5-7-12(8-6-11)16(3)14-15-13(9-18-14)10(2)17/h5-9H,4H2,1-3H3.
What are the key properties of 1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone?
1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone has a molecular weight of 260.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64543825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).