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

C14H17ClN2O3S — CID 2857990

IUPAC1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride
SMILESCOc1ccc(OC)c(Nc2nc(C)c(C(C)=O)s2)c1.Cl
InChIInChI=1S/C14H16N2O3S.ClH/c1-8-13(9(2)17)20-14(15-8)16-11-7-10(18-3)5-6-12(11)19-4;/h5-7H,1-4H3,(H,15,16);1H
InChIKeyAIXIEGHEVZIGEL-UHFFFAOYSA-N
MW328.82 g/mol
LogP3.84
Rot. Bonds5

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

1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride (PubChem CID 2857990) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride
PubChem CID2857990
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride
SMILESCOc1ccc(OC)c(Nc2nc(C)c(C(C)=O)s2)c1.Cl
InChIInChI=1S/C14H16N2O3S.ClH/c1-8-13(9(2)17)20-14(15-8)16-11-7-10(18-3)5-6-12(11)19-4;/h5-7H,1-4H3,(H,15,16);1H
InChIKeyAIXIEGHEVZIGEL-UHFFFAOYSA-N
XLogP3.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride?
The IUPAC name of 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride (CID 2857990) is 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride is COc1ccc(OC)c(Nc2nc(C)c(C(C)=O)s2)c1.Cl.
What is the InChIKey of 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride?
The InChIKey is AIXIEGHEVZIGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S.ClH/c1-8-13(9(2)17)20-14(15-8)16-11-7-10(18-3)5-6-12(11)19-4;/h5-7H,1-4H3,(H,15,16);1H.
What are the key properties of 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride?
1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride has a molecular weight of 328.82 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethoxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride is sourced from PubChem (CID 2857990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).