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

C31H27ClN2S — CID 4301906

IUPAC3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
SMILESCc1ccc(C=C2CCCC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2C3c2ccc(C)cc2)cc1
InChIInChI=1S/C31H27ClN2S/c1-20-6-10-22(11-7-20)18-25-4-3-5-27-29(25)33-31-34(30(27)24-12-8-21(2)9-13-24)28(19-35-31)23-14-16-26(32)17-15-23/h6-19,30H,3-5H2,1-2H3
InChIKeyGHJNTYZHHNBFJT-UHFFFAOYSA-N
MW495.09 g/mol
LogP8.94
Rot. Bonds3

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

3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline (PubChem CID 4301906) has the molecular formula C31H27ClN2S and a molecular weight of 495.09 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
PubChem CID4301906
Molecular FormulaC31H27ClN2S
Molecular Weight495.09 g/mol
Exact Mass494.16
IUPAC Name3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
SMILESCc1ccc(C=C2CCCC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2C3c2ccc(C)cc2)cc1
InChIInChI=1S/C31H27ClN2S/c1-20-6-10-22(11-7-20)18-25-4-3-5-27-29(25)33-31-34(30(27)24-12-8-21(2)9-13-24)28(19-35-31)23-14-16-26(32)17-15-23/h6-19,30H,3-5H2,1-2H3
InChIKeyGHJNTYZHHNBFJT-UHFFFAOYSA-N
XLogP8.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.09
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-bis(4-methoxyphenyl)-9-[(4-methoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 3773605
(9E)-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-3-(3-nitrophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 6512787
11-methyl-6,8-bis(4-methylphenyl)-13-[(4-methylphenyl)methylidene]-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene;hydrobromide
CID 75256689
(9Z)-3-(4-bromophenyl)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 127254625
(13E)-8-(4-methylphenyl)-13-[(4-methylphenyl)methylidene]-6-phenyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 73333204
(8S,13E)-8-(4-fluorophenyl)-13-[(4-fluorophenyl)methylidene]-11-methyl-6-(4-methylphenyl)-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 6878590
(5R,7R,9Z)-9-benzylidene-7-methyl-3-(4-methylphenyl)-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 98179838
5-(2-chlorophenyl)-3-(4-chlorophenyl)-9-[(2-chlorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 5121913
(4E)-11-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2,3,11-tetrahydropyrido[2,1-b]quinazoline
CID 102099862
13-(4-chlorophenyl)-11-(4-fluorophenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene
CID 3724944
(2E,9Z)-2-benzylidene-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 75408833
(2E,9E)-2-[(4-chlorophenyl)methylidene]-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 51370495

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline (CID 4301906) is 3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is Cc1ccc(C=C2CCCC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2C3c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
The InChIKey is GHJNTYZHHNBFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClN2S/c1-20-6-10-22(11-7-20)18-25-4-3-5-27-29(25)33-31-34(30(27)24-12-8-21(2)9-13-24)28(19-35-31)23-14-16-26(32)17-15-23/h6-19,30H,3-5H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline has a molecular weight of 495.09 g/mol, XLogP of 8.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-methylphenyl)-9-[(4-methylphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is sourced from PubChem (CID 4301906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).