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

C12H9N3OS — CID 168994791

IUPAC2-(2-methyl-1,3-thiazol-5-yl)-3H-quinazolin-4-one
SMILESCc1ncc(-c2nc3ccccc3c(=O)[nH]2)s1
InChIInChI=1S/C12H9N3OS/c1-7-13-6-10(17-7)11-14-9-5-3-2-4-8(9)12(16)15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyKKQMREHKTRUNRV-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.36
Rot. Bonds1

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

2-(2-methyl-1,3-thiazol-5-yl)-3H-quinazolin-4-one (PubChem CID 168994791) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-5-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-5-yl)-3H-quinazolin-4-one
PubChem CID168994791
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name2-(2-methyl-1,3-thiazol-5-yl)-3H-quinazolin-4-one
SMILESCc1ncc(-c2nc3ccccc3c(=O)[nH]2)s1
InChIInChI=1S/C12H9N3OS/c1-7-13-6-10(17-7)11-14-9-5-3-2-4-8(9)12(16)15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyKKQMREHKTRUNRV-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
CID 168551010
2-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-3H-quinazolin-4-one
CID 165178436
2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
CID 168552737
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-(1,2,4-oxadiazol-3-yl)-3H-quinazolin-4-one
CID 137222903
2-(5-methyl-1,3-thiazol-2-yl)-6-phenyl-3H-quinazolin-4-one
CID 167754685
2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one
CID 168550887
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-3H-quinazolin-4-one
CID 137045271

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)-3H-quinazolin-4-one (CID 168994791) is 2-(2-methyl-1,3-thiazol-5-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-5-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-5-yl)-3H-quinazolin-4-one is Cc1ncc(-c2nc3ccccc3c(=O)[nH]2)s1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-5-yl)-3H-quinazolin-4-one?
The InChIKey is KKQMREHKTRUNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-7-13-6-10(17-7)11-14-9-5-3-2-4-8(9)12(16)15-11/h2-6H,1H3,(H,14,15,16).
What are the key properties of 2-(2-methyl-1,3-thiazol-5-yl)-3H-quinazolin-4-one?
2-(2-methyl-1,3-thiazol-5-yl)-3H-quinazolin-4-one has a molecular weight of 243.29 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-5-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 168994791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).