3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one

C20H17N3OS2 — CID 2564582

IUPAC3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one
SMILESCc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C)cs2)cc1
InChIInChI=1S/C20H17N3OS2/c1-13-7-9-14(10-8-13)18-21-15(11-25-18)12-26-20-22-17-6-4-3-5-16(17)19(24)23(20)2/h3-11H,12H2,1-2H3
InChIKeyZQTMCYHTYQZXQR-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.66
Rot. Bonds4

About 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one

3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one (PubChem CID 2564582) has the molecular formula C20H17N3OS2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one
PubChem CID2564582
Molecular FormulaC20H17N3OS2
Molecular Weight379.51 g/mol
Exact Mass379.08
IUPAC Name3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one
SMILESCc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C)cs2)cc1
InChIInChI=1S/C20H17N3OS2/c1-13-7-9-14(10-8-13)18-21-15(11-25-18)12-26-20-22-17-6-4-3-5-16(17)19(24)23(20)2/h3-11H,12H2,1-2H3
InChIKeyZQTMCYHTYQZXQR-UHFFFAOYSA-N
XLogP4.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one with MolForge

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Related Compounds

PqsR-IN-2
CID 154700564
PqsR-IN-1
CID 154700574
N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 1331233
3-Methyl-2-[2-(4-methyl-5-thiazolyl)ethylthio]-4-quinazolinone
CID 712173
2-((3-(3-(Dimethylamino)propyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-(4-(p-tolyl)thiazol-2-yl)acetamide
CID 2440919
1-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]-3-phenyl-2H-quinazolin-4-one
CID 71625302
3,6-Dimethyl-8-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinazolin-4-one
CID 164622285
3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 1085004
N-methyl-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1483692
2-[(Dimethylamino)methyl]-3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one
CID 2086912
3-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one
CID 2104885
2-[(2-Phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
CID 2339607

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one (CID 2564582) is 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one is Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C)cs2)cc1.
What is the InChIKey of 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one?
The InChIKey is ZQTMCYHTYQZXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS2/c1-13-7-9-14(10-8-13)18-21-15(11-25-18)12-26-20-22-17-6-4-3-5-16(17)19(24)23(20)2/h3-11H,12H2,1-2H3.
What are the key properties of 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one?
3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one has a molecular weight of 379.51 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 2564582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).