3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one

C11H8N2OS — CID 1479805

IUPAC3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESC=C1CSc2nc3ccccc3c(=O)n21
InChIInChI=1S/C11H8N2OS/c1-7-6-15-11-12-9-5-3-2-4-8(9)10(14)13(7)11/h2-5H,1,6H2
InChIKeyMUZVXQJHKZMQAI-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.97
Rot. Bonds

About 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one

3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one (PubChem CID 1479805) has the molecular formula C11H8N2OS and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one
PubChem CID1479805
Molecular FormulaC11H8N2OS
Molecular Weight216.26 g/mol
Exact Mass216.04
IUPAC Name3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESC=C1CSc2nc3ccccc3c(=O)n21
InChIInChI=1S/C11H8N2OS/c1-7-6-15-11-12-9-5-3-2-4-8(9)10(14)13(7)11/h2-5H,1,6H2
InChIKeyMUZVXQJHKZMQAI-UHFFFAOYSA-N
XLogP1.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
CID 18592735
4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
CID 12577138
8-methyl-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione
CID 102502109
13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one
CID 53335690
2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione
CID 10422071
2-phenyl-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)quinazolin-4-one
CID 3000610
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
(2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one
CID 137241669
3-phenyl-2-(propan-2-ylamino)quinazolin-4-one
CID 11011362
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
CID 7822082
(3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1474960

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one (CID 1479805) is 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one is C=C1CSc2nc3ccccc3c(=O)n21.
What is the InChIKey of 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The InChIKey is MUZVXQJHKZMQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c1-7-6-15-11-12-9-5-3-2-4-8(9)10(14)13(7)11/h2-5H,1,6H2.
What are the key properties of 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one?
3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one has a molecular weight of 216.26 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 1479805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).