3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one

C21H18N4O2S — CID 11842432

IUPAC3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one
SMILESCNc1nc(C)c(-c2nc3ccccc3c(=O)n2-c2ccc(C(C)=O)cc2)s1
InChIInChI=1S/C21H18N4O2S/c1-12-18(28-21(22-3)23-12)19-24-17-7-5-4-6-16(17)20(27)25(19)15-10-8-14(9-11-15)13(2)26/h4-11H,1-3H3,(H,22,23)
InChIKeyPPMXRTDASFJQDV-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.06
Rot. Bonds4

About 3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one

3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one (PubChem CID 11842432) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one
PubChem CID11842432
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one
SMILESCNc1nc(C)c(-c2nc3ccccc3c(=O)n2-c2ccc(C(C)=O)cc2)s1
InChIInChI=1S/C21H18N4O2S/c1-12-18(28-21(22-3)23-12)19-24-17-7-5-4-6-16(17)20(27)25(19)15-10-8-14(9-11-15)13(2)26/h4-11H,1-3H3,(H,22,23)
InChIKeyPPMXRTDASFJQDV-UHFFFAOYSA-N
XLogP4.06
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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2-[(benzylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911412
2-(Benzoylamino)-4-methyl-n-(2,4,6-trimethylphenyl)-5-thiazolecarboxamide
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N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide
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2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one?
The IUPAC name of 3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one (CID 11842432) is 3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one.
What is the SMILES notation for 3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one?
The canonical SMILES for 3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one is CNc1nc(C)c(-c2nc3ccccc3c(=O)n2-c2ccc(C(C)=O)cc2)s1.
What is the InChIKey of 3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one?
The InChIKey is PPMXRTDASFJQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-12-18(28-21(22-3)23-12)19-24-17-7-5-4-6-16(17)20(27)25(19)15-10-8-14(9-11-15)13(2)26/h4-11H,1-3H3,(H,22,23).
What are the key properties of 3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one?
3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one has a molecular weight of 390.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-2-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]quinazolin-4-one is sourced from PubChem (CID 11842432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).