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

C19H26N4O3S — CID 170861270

IUPAC1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(OC)c(Nc2nc(C)c(C(=O)CN3CCN(C)CC3)s2)c1
InChIInChI=1S/C19H26N4O3S/c1-13-18(16(24)12-23-9-7-22(2)8-10-23)27-19(20-13)21-15-11-14(25-3)5-6-17(15)26-4/h5-6,11H,7-10,12H2,1-4H3,(H,20,21)
InChIKeyGGBAHQVFGGGAEB-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.64
Rot. Bonds7

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

1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170861270) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170861270
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(OC)c(Nc2nc(C)c(C(=O)CN3CCN(C)CC3)s2)c1
InChIInChI=1S/C19H26N4O3S/c1-13-18(16(24)12-23-9-7-22(2)8-10-23)27-19(20-13)21-15-11-14(25-3)5-6-17(15)26-4/h5-6,11H,7-10,12H2,1-4H3,(H,20,21)
InChIKeyGGBAHQVFGGGAEB-UHFFFAOYSA-N
XLogP2.64
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28575998
1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861299
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944436
1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861149
N-(2,5-dimethoxyphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914067
1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193900
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82164279
1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
CID 170862014

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]-2-(4-methylpiperazin-1-yl)ethanone (CID 170861270) is 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]-2-(4-methylpiperazin-1-yl)ethanone is COc1ccc(OC)c(Nc2nc(C)c(C(=O)CN3CCN(C)CC3)s2)c1.
What is the InChIKey of 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is GGBAHQVFGGGAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-13-18(16(24)12-23-9-7-22(2)8-10-23)27-19(20-13)21-15-11-14(25-3)5-6-17(15)26-4/h5-6,11H,7-10,12H2,1-4H3,(H,20,21).
What are the key properties of 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]-2-(4-methylpiperazin-1-yl)ethanone?
1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 390.51 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170861270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).