4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine

C19H19ClN2O4S — CID 141384892

IUPAC4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(N)sc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C19H19ClN2O4S/c1-23-13-6-5-10(7-12(13)20)16-18(27-19(21)22-16)11-8-14(24-2)17(26-4)15(9-11)25-3/h5-9H,1-4H3,(H2,21,22)
InChIKeyGMPPIYZYQJIGIW-UHFFFAOYSA-N
MW406.89 g/mol
LogP4.75
Rot. Bonds6

About 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine

4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 141384892) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID141384892
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC Name4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(N)sc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C19H19ClN2O4S/c1-23-13-6-5-10(7-12(13)20)16-18(27-19(21)22-16)11-8-14(24-2)17(26-4)15(9-11)25-3/h5-9H,1-4H3,(H2,21,22)
InChIKeyGMPPIYZYQJIGIW-UHFFFAOYSA-N
XLogP4.75
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (CID 141384892) is 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2nc(N)sc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is GMPPIYZYQJIGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-23-13-6-5-10(7-12(13)20)16-18(27-19(21)22-16)11-8-14(24-2)17(26-4)15(9-11)25-3/h5-9H,1-4H3,(H2,21,22).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 406.89 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 141384892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).