2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one

C18H13N3OS — CID 167754685

IUPAC2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one
SMILESCc1cnc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[nH]2)s1
InChIInChI=1S/C18H13N3OS/c1-11-10-19-18(23-11)16-20-15-8-7-13(9-14(15)17(22)21-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21,22)
InChIKeyVARCIPXASCZSLS-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.02
Rot. Bonds2

About 2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one

2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one (PubChem CID 167754685) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one
PubChem CID167754685
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one
SMILESCc1cnc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[nH]2)s1
InChIInChI=1S/C18H13N3OS/c1-11-10-19-18(23-11)16-20-15-8-7-13(9-14(15)17(22)21-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21,22)
InChIKeyVARCIPXASCZSLS-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829043
(R)-N-(1-(3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)-N-(thiazol-2-ylmethyl)-2-(4-(trifluoromethyl)phenyl)acetamide
CID 44426697
2-[(phenylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 1230956
N-(5-(3-(1-acetylpiperazine-4-carbonyl)-4-aminobenzylthio)thiazol-2-yl)-4-(dimethylamino)benzamide
CID 44410419
N-(5-(3-(1-acetylpiperazine-4-carbonyl)benzyl)thiazol-2-yl)-4-(dimethylamino)benzamide
CID 44412550
N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide
CID 70681602
2-[(2-Amino-1,3-thiazol-5-yl)sulfanyl]-6-methyl-3-phenylquinazolin-4-one
CID 72196353
2-[(2-Amino-1,3-thiazol-5-yl)sulfanyl]-3-benzyl-6-methylquinazolin-4-one
CID 72196354
4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-N-thiazol-5-ylmethyl-benzamide
CID 135430777
4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-N-thiazol-2-ylmethyl-benzamide
CID 135474702
4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-N-thiazol-5-ylmethyl-benzamide
CID 135517470
4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-N-thiazol-2-ylmethyl-benzamide
CID 135517500

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one?
The IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one (CID 167754685) is 2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one?
The canonical SMILES for 2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one is Cc1cnc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[nH]2)s1.
What is the InChIKey of 2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one?
The InChIKey is VARCIPXASCZSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c1-11-10-19-18(23-11)16-20-15-8-7-13(9-14(15)17(22)21-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21,22).
What are the key properties of 2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one?
2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one has a molecular weight of 319.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one is sourced from PubChem (CID 167754685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).