[2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride

C20H21ClN2O4S — CID 53364343

IUPAC[2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
SMILESCOc1cc(C(=O)c2csc(Nc3ccc(C)cc3)n2)cc(OC)c1OC.Cl
InChIInChI=1S/C20H20N2O4S.ClH/c1-12-5-7-14(8-6-12)21-20-22-15(11-27-20)18(23)13-9-16(24-2)19(26-4)17(10-13)25-3;/h5-11H,1-4H3,(H,21,22);1H
InChIKeyTUMMUSOWWHONFO-UHFFFAOYSA-N
MW420.92 g/mol
LogP4.87
Rot. Bonds7

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

[2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride (PubChem CID 53364343) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
PubChem CID53364343
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC Name[2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
SMILESCOc1cc(C(=O)c2csc(Nc3ccc(C)cc3)n2)cc(OC)c1OC.Cl
InChIInChI=1S/C20H20N2O4S.ClH/c1-12-5-7-14(8-6-12)21-20-22-15(11-27-20)18(23)13-9-16(24-2)19(26-4)17(10-13)25-3;/h5-11H,1-4H3,(H,21,22);1H
InChIKeyTUMMUSOWWHONFO-UHFFFAOYSA-N
XLogP4.87
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-Amino-2-anilino-1,3-thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CID 1512279
Ethyl 2-(3,4,5-trimethoxybenzamido)thiazole-4-carboxylate
CID 1359240
(4-Amino-2-((4-methoxyphenyl)amino)thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CID 1512282
(4-Amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 20590560
4-(3,4,5-Trimethoxybenzoyl)-2-phenylthiazole
CID 25227430
[2-(4-Methylphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25258609
[2-(3,4-Dimethoxyphenyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25258830
[2-(4-Nitrophenyl)-4-thiazolyl](3,4,5-trimethoxyphenyl)methanone
CID 25258831
[4-(2-Amino-4-thiazolyl)phenyl](3,4,5-trimethoxyphenyl)methanone
CID 46929639
[2-(4-Fluoroanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53340984
(2-(Phenylamino)thiazol-4-yl)(3,4,5-trimethoxyphenyl)methanone
CID 53361717
(2-(4-(Aminomethyl)phenyl)thiazol-4-yl)(3,4,5-trimethoxyphenyl)methanone hydrochloride
CID 53363958

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride?
The IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride (CID 53364343) is [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride is COc1cc(C(=O)c2csc(Nc3ccc(C)cc3)n2)cc(OC)c1OC.Cl.
What is the InChIKey of [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride?
The InChIKey is TUMMUSOWWHONFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S.ClH/c1-12-5-7-14(8-6-12)21-20-22-15(11-27-20)18(23)13-9-16(24-2)19(26-4)17(10-13)25-3;/h5-11H,1-4H3,(H,21,22);1H.
What are the key properties of [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride?
[2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride has a molecular weight of 420.92 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 53364343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).