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

C17H16N2O2S — CID 1481725

IUPAC4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(N)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H16N2O2S/c1-20-13-7-3-11(4-8-13)15-16(22-17(18)19-15)12-5-9-14(21-2)10-6-12/h3-10H,1-2H3,(H2,18,19)
InChIKeyVUQJYRXMLSGBKQ-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.08
Rot. Bonds4

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

4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 1481725) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID1481725
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(N)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H16N2O2S/c1-20-13-7-3-11(4-8-13)15-16(22-17(18)19-15)12-5-9-14(21-2)10-6-12/h3-10H,1-2H3,(H2,18,19)
InChIKeyVUQJYRXMLSGBKQ-UHFFFAOYSA-N
XLogP4.08
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 1481725) is 4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2nc(N)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is VUQJYRXMLSGBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-20-13-7-3-11(4-8-13)15-16(22-17(18)19-15)12-5-9-14(21-2)10-6-12/h3-10H,1-2H3,(H2,18,19).
What are the key properties of 4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine?
4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 312.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1481725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).