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

C19H15N3OS — CID 9287059

IUPAC3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
SMILESCc1ccc(-c2nc(Cn3cnc4ccccc4c3=O)cs2)cc1
InChIInChI=1S/C19H15N3OS/c1-13-6-8-14(9-7-13)18-21-15(11-24-18)10-22-12-20-17-5-3-2-4-16(17)19(22)23/h2-9,11-12H,10H2,1H3
InChIKeyZMHHMVJUSYBJGV-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.88
Rot. Bonds3

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

3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one (PubChem CID 9287059) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
PubChem CID9287059
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
SMILESCc1ccc(-c2nc(Cn3cnc4ccccc4c3=O)cs2)cc1
InChIInChI=1S/C19H15N3OS/c1-13-6-8-14(9-7-13)18-21-15(11-24-18)10-22-12-20-17-5-3-2-4-16(17)19(22)23/h2-9,11-12H,10H2,1H3
InChIKeyZMHHMVJUSYBJGV-UHFFFAOYSA-N
XLogP3.88
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 17483318
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 38963071
7-chloro-3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 24578370
3-ethyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one
CID 7907166
6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
CID 25307974
3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 24630191
3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one
CID 79231283
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 17490025
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one
CID 18282371
3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
CID 2362738

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one (CID 9287059) is 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one is Cc1ccc(-c2nc(Cn3cnc4ccccc4c3=O)cs2)cc1.
What is the InChIKey of 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The InChIKey is ZMHHMVJUSYBJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-13-6-8-14(9-7-13)18-21-15(11-24-18)10-22-12-20-17-5-3-2-4-16(17)19(22)23/h2-9,11-12H,10H2,1H3.
What are the key properties of 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one has a molecular weight of 333.42 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 9287059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).