(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride

C19H19ClN2O4S — CID 53364342

IUPAC(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
SMILESCOc1cc(C(=O)c2csc(Nc3ccccc3)n2)cc(OC)c1OC.Cl
InChIInChI=1S/C19H18N2O4S.ClH/c1-23-15-9-12(10-16(24-2)18(15)25-3)17(22)14-11-26-19(21-14)20-13-7-5-4-6-8-13;/h4-11H,1-3H3,(H,20,21);1H
InChIKeyZKIYCRLTWNQLTN-UHFFFAOYSA-N
MW406.89 g/mol
LogP4.57
Rot. Bonds7

About (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride

(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride (PubChem CID 53364342) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
PubChem CID53364342
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC Name(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
SMILESCOc1cc(C(=O)c2csc(Nc3ccccc3)n2)cc(OC)c1OC.Cl
InChIInChI=1S/C19H18N2O4S.ClH/c1-23-15-9-12(10-16(24-2)18(15)25-3)17(22)14-11-26-19(21-14)20-13-7-5-4-6-8-13;/h4-11H,1-3H3,(H,20,21);1H
InChIKeyZKIYCRLTWNQLTN-UHFFFAOYSA-N
XLogP4.57
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(pentylamino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 87148506
2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 50830665
[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 118216244
1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
CID 58966318
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride
CID 142637273
(2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 82131144
2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 30860157
2-(3,4-dimethoxyanilino)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16955410
(6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364049
2-(4-anilinophenyl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 158021036

Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride?
The IUPAC name of (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride (CID 53364342) is (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride?
The canonical SMILES for (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride is COc1cc(C(=O)c2csc(Nc3ccccc3)n2)cc(OC)c1OC.Cl.
What is the InChIKey of (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride?
The InChIKey is ZKIYCRLTWNQLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S.ClH/c1-23-15-9-12(10-16(24-2)18(15)25-3)17(22)14-11-26-19(21-14)20-13-7-5-4-6-8-13;/h4-11H,1-3H3,(H,20,21);1H.
What are the key properties of (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride?
(2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride has a molecular weight of 406.89 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 53364342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).