1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone

C14H16N2OS — CID 79363573

IUPAC1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1ccccc1C
InChIInChI=1S/C14H16N2OS/c1-9-6-4-5-7-12(9)8-15-14-13(11(3)17)10(2)16-18-14/h4-7,15H,8H2,1-3H3
InChIKeyWDJAOLYMAFHOJI-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.57
Rot. Bonds4

About 1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone

1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone (PubChem CID 79363573) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
PubChem CID79363573
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1ccccc1C
InChIInChI=1S/C14H16N2OS/c1-9-6-4-5-7-12(9)8-15-14-13(11(3)17)10(2)16-18-14/h4-7,15H,8H2,1-3H3
InChIKeyWDJAOLYMAFHOJI-UHFFFAOYSA-N
XLogP3.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(2-bromophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363518
1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79364544
1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79376448
1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363875
1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363807
1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375727
4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850738
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide
CID 79363435
5-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110850663
1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375150
1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 106760958
4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103364183

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone (CID 79363573) is 1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCc1ccccc1C.
What is the InChIKey of 1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone?
The InChIKey is WDJAOLYMAFHOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-6-4-5-7-12(9)8-15-14-13(11(3)17)10(2)16-18-14/h4-7,15H,8H2,1-3H3.
What are the key properties of 1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone has a molecular weight of 260.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79363573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).