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

C11H7N3OS — CID 102030654

IUPAC3-(1,3-thiazol-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1nccs1
InChIInChI=1S/C11H7N3OS/c15-10-8-3-1-2-4-9(8)13-7-14(10)11-12-5-6-16-11/h1-7H
InChIKeyXXJSZBDHRLLKDU-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.84
Rot. Bonds1

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

3-(1,3-thiazol-2-yl)quinazolin-4-one (PubChem CID 102030654) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)quinazolin-4-one
PubChem CID102030654
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Name3-(1,3-thiazol-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1nccs1
InChIInChI=1S/C11H7N3OS/c15-10-8-3-1-2-4-9(8)13-7-14(10)11-12-5-6-16-11/h1-7H
InChIKeyXXJSZBDHRLLKDU-UHFFFAOYSA-N
XLogP1.84
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-thiophen-2-ylquinazolin-4-one
CID 14492504
6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione
CID 3561841
3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 99874645
3-(2-methoxyphenyl)quinazolin-4-one
CID 823516
3-(2-methyltetrazol-5-yl)quinazolin-4-one
CID 14022304
3-[4-(dimethylamino)phenyl]quinazolin-4-one
CID 7719422
2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione
CID 1042831
3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione
CID 91621526
3-[3,5-bis(trifluoromethyl)phenyl]quinazolin-4-one
CID 3116934
3-phthalazin-1-ylquinazolin-4-one
CID 91403899
3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
CID 2362738
2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one
CID 118168715

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)quinazolin-4-one?
The IUPAC name of 3-(1,3-thiazol-2-yl)quinazolin-4-one (CID 102030654) is 3-(1,3-thiazol-2-yl)quinazolin-4-one.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)quinazolin-4-one?
The canonical SMILES for 3-(1,3-thiazol-2-yl)quinazolin-4-one is O=c1c2ccccc2ncn1-c1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)quinazolin-4-one?
The InChIKey is XXJSZBDHRLLKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c15-10-8-3-1-2-4-9(8)13-7-14(10)11-12-5-6-16-11/h1-7H.
What are the key properties of 3-(1,3-thiazol-2-yl)quinazolin-4-one?
3-(1,3-thiazol-2-yl)quinazolin-4-one has a molecular weight of 229.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)quinazolin-4-one is sourced from PubChem (CID 102030654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).