1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone

C18H24N4O2S — CID 1498151

IUPAC1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(/N=c2\sc(C(C)=O)c(C)n2N2CCN(C)CC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-13-17(14(2)23)25-18(19-15-5-7-16(24-4)8-6-15)22(13)21-11-9-20(3)10-12-21/h5-8H,9-12H2,1-4H3/b19-18-
InChIKeyBNLCLQMPJRQCFR-HNENSFHCSA-N
MW360.48 g/mol
LogP2.19
Rot. Bonds4

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

1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 1498151) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID1498151
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(/N=c2\sc(C(C)=O)c(C)n2N2CCN(C)CC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-13-17(14(2)23)25-18(19-15-5-7-16(24-4)8-6-15)22(13)21-11-9-20(3)10-12-21/h5-8H,9-12H2,1-4H3/b19-18-
InChIKeyBNLCLQMPJRQCFR-HNENSFHCSA-N
XLogP2.19
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone (CID 1498151) is 1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone is COc1ccc(/N=c2\sc(C(C)=O)c(C)n2N2CCN(C)CC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is BNLCLQMPJRQCFR-HNENSFHCSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-13-17(14(2)23)25-18(19-15-5-7-16(24-4)8-6-15)22(13)21-11-9-20(3)10-12-21/h5-8H,9-12H2,1-4H3/b19-18-.
What are the key properties of 1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone?
1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 360.48 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)imino-4-methyl-3-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 1498151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).