1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone

C14H16N2OS — CID 64544213

IUPAC1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(N(C)Cc2ccc(C)cc2)n1
InChIInChI=1S/C14H16N2OS/c1-10-4-6-12(7-5-10)8-16(3)14-15-13(9-18-14)11(2)17/h4-7,9H,8H2,1-3H3
InChIKeyZPJMZEBWPXYQHA-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.29
Rot. Bonds4

About 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone

1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone (PubChem CID 64544213) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone
PubChem CID64544213
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(N(C)Cc2ccc(C)cc2)n1
InChIInChI=1S/C14H16N2OS/c1-10-4-6-12(7-5-10)8-16(3)14-15-13(9-18-14)11(2)17/h4-7,9H,8H2,1-3H3
InChIKeyZPJMZEBWPXYQHA-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone
CID 113392189
methyl 2-[(4-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423869
1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64542419
1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone
CID 64543825
1-[2-[cyclopentylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544442
1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544241
2-[furan-3-ylmethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568217
2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569290
2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66374204
2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414
4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 62765736
1-[2-[bis(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543850

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone (CID 64544213) is 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(N(C)Cc2ccc(C)cc2)n1.
What is the InChIKey of 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone?
The InChIKey is ZPJMZEBWPXYQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-4-6-12(7-5-10)8-16(3)14-15-13(9-18-14)11(2)17/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone?
1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone has a molecular weight of 260.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64544213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).