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

C21H24N2O4S — CID 71450717

IUPAC5-(4-methoxyphenyl)-N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2sc(N(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H24N2O4S/c1-23(2)21-22-18(20(28-21)13-7-9-15(24-3)10-8-13)14-11-16(25-4)19(27-6)17(12-14)26-5/h7-12H,1-6H3
InChIKeyJLMYVXUPKPLZIT-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.58
Rot. Bonds7

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

5-(4-methoxyphenyl)-N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 71450717) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID71450717
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name5-(4-methoxyphenyl)-N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2sc(N(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H24N2O4S/c1-23(2)21-22-18(20(28-21)13-7-9-15(24-3)10-8-13)14-11-16(25-4)19(27-6)17(12-14)26-5/h7-12H,1-6H3
InChIKeyJLMYVXUPKPLZIT-UHFFFAOYSA-N
XLogP4.58
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (CID 71450717) is 5-(4-methoxyphenyl)-N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2sc(N(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is JLMYVXUPKPLZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-23(2)21-22-18(20(28-21)13-7-9-15(24-3)10-8-13)14-11-16(25-4)19(27-6)17(12-14)26-5/h7-12H,1-6H3.
What are the key properties of 5-(4-methoxyphenyl)-N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
5-(4-methoxyphenyl)-N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 400.50 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N,N-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 71450717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).