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

C14H16N2OS — CID 82121482

IUPAC1-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(CNc2ccc(C)cc2)nc1C
InChIInChI=1S/C14H16N2OS/c1-9-4-6-12(7-5-9)15-8-13-16-10(2)14(18-13)11(3)17/h4-7,15H,8H2,1-3H3
InChIKeyFUYYQIWFRZNXQX-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.57
Rot. Bonds4

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

1-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 82121482) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-yl]ethanone
PubChem CID82121482
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(CNc2ccc(C)cc2)nc1C
InChIInChI=1S/C14H16N2OS/c1-9-4-6-12(7-5-9)15-8-13-16-10(2)14(18-13)11(3)17/h4-7,15H,8H2,1-3H3
InChIKeyFUYYQIWFRZNXQX-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-yl]ethanone (CID 82121482) is 1-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(CNc2ccc(C)cc2)nc1C.
What is the InChIKey of 1-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is FUYYQIWFRZNXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-4-6-12(7-5-9)15-8-13-16-10(2)14(18-13)11(3)17/h4-7,15H,8H2,1-3H3.
What are the key properties of 1-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-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-[4-methyl-2-[(4-methylanilino)methyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82121482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).