5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine

C20H22N2O4S — CID 53388043

IUPAC5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)cc1C
InChIInChI=1S/C20H22N2O4S/c1-11-8-12(6-7-14(11)23-2)19-17(22-20(21)27-19)13-9-15(24-3)18(26-5)16(10-13)25-4/h6-10H,1-5H3,(H2,21,22)
InChIKeyJYLAVMMCIPOMHS-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.40
Rot. Bonds6

About 5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine

5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 53388043) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID53388043
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)cc1C
InChIInChI=1S/C20H22N2O4S/c1-11-8-12(6-7-14(11)23-2)19-17(22-20(21)27-19)13-9-15(24-3)18(26-5)16(10-13)25-4/h6-10H,1-5H3,(H2,21,22)
InChIKeyJYLAVMMCIPOMHS-UHFFFAOYSA-N
XLogP4.40
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (CID 53388043) is 5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)cc1C.
What is the InChIKey of 5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is JYLAVMMCIPOMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-11-8-12(6-7-14(11)23-2)19-17(22-20(21)27-19)13-9-15(24-3)18(26-5)16(10-13)25-4/h6-10H,1-5H3,(H2,21,22).
What are the key properties of 5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 386.47 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 53388043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).