3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione

C11H7N3O2S — CID 91621526

IUPAC3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1nccs1
InChIInChI=1S/C11H7N3O2S/c15-9-7-3-1-2-4-8(7)13-10(16)14(9)11-12-5-6-17-11/h1-6H,(H,13,16)
InChIKeyBEMRJWCYUPQZRC-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.14
Rot. Bonds1

About 3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione

3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione (PubChem CID 91621526) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione
PubChem CID91621526
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1nccs1
InChIInChI=1S/C11H7N3O2S/c15-9-7-3-1-2-4-8(7)13-10(16)14(9)11-12-5-6-17-11/h1-6H,(H,13,16)
InChIKeyBEMRJWCYUPQZRC-UHFFFAOYSA-N
XLogP1.14
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3-thiazol-2-yl)benzo[d][2]benzazepine-5,7-dione
CID 3561841
3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione
CID 2754474
3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 11266204
3-quinolin-3-yl-1H-quinazoline-2,4-dione
CID 17221486
ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 91492397
3-hydroxy-4-[(4-hydroxyphenyl)iminomethyl]-2-(1,3-thiazol-2-yl)isoquinolin-1-one
CID 2390010
3-(1,3-thiazol-2-yl)quinazolin-4-one
CID 102030654
3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane
CID 91428000
3-(dimethylamino)-1H-quinazoline-2,4-dione
CID 3058904
3-(2,3-dimethylphenyl)-1H-quinazoline-2,4-dione
CID 12845269
2-[[4-oxo-3-(1,3-thiazol-2-yl)quinazolin-2-yl]methyl]isoindole-1,3-dione
CID 1042831
(2-methyl-1H-indol-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 30779142

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione (CID 91621526) is 3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1-c1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione?
The InChIKey is BEMRJWCYUPQZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c15-9-7-3-1-2-4-8(7)13-10(16)14(9)11-12-5-6-17-11/h1-6H,(H,13,16).
What are the key properties of 3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione?
3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione has a molecular weight of 245.26 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 91621526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).