3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline

C32H30N2O3S — CID 3773605

IUPAC3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
SMILESCOc1ccc(C=C2CCCC3=C2N=C2SC=C(c4ccc(OC)cc4)N2C3c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H30N2O3S/c1-35-25-13-7-21(8-14-25)19-24-5-4-6-28-30(24)33-32-34(31(28)23-11-17-27(37-3)18-12-23)29(20-38-32)22-9-15-26(36-2)16-10-22/h7-20,31H,4-6H2,1-3H3
InChIKeyCANSAEKHVKKEBW-UHFFFAOYSA-N
MW522.67 g/mol
LogP7.69
Rot. Bonds6

About 3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline

3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline (PubChem CID 3773605) has the molecular formula C32H30N2O3S and a molecular weight of 522.67 g/mol. Its IUPAC name is 3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline.

Molecular Properties

Compound Name3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
PubChem CID3773605
Molecular FormulaC32H30N2O3S
Molecular Weight522.67 g/mol
Exact Mass522.20
IUPAC Name3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
SMILESCOc1ccc(C=C2CCCC3=C2N=C2SC=C(c4ccc(OC)cc4)N2C3c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H30N2O3S/c1-35-25-13-7-21(8-14-25)19-24-5-4-6-28-30(24)33-32-34(31(28)23-11-17-27(37-3)18-12-23)29(20-38-32)22-9-15-26(36-2)16-10-22/h7-20,31H,4-6H2,1-3H3
InChIKeyCANSAEKHVKKEBW-UHFFFAOYSA-N
XLogP7.69
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.67
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
The IUPAC name of 3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline (CID 3773605) is 3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline.
What is the SMILES notation for 3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
The canonical SMILES for 3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is COc1ccc(C=C2CCCC3=C2N=C2SC=C(c4ccc(OC)cc4)N2C3c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
The InChIKey is CANSAEKHVKKEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O3S/c1-35-25-13-7-21(8-14-25)19-24-5-4-6-28-30(24)33-32-34(31(28)23-11-17-27(37-3)18-12-23)29(20-38-32)22-9-15-26(36-2)16-10-22/h7-20,31H,4-6H2,1-3H3.
What are the key properties of 3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline has a molecular weight of 522.67 g/mol, XLogP of 7.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is sourced from PubChem (CID 3773605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).