4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one

C14H13N3OS — CID 25470230

IUPAC4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one
SMILESC=C1c2ccccc2NC(=O)N1Cc1nc(C)cs1
InChIInChI=1S/C14H13N3OS/c1-9-8-19-13(15-9)7-17-10(2)11-5-3-4-6-12(11)16-14(17)18/h3-6,8H,2,7H2,1H3,(H,16,18)
InChIKeyGSZGUSMYIYYXGW-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.47
Rot. Bonds2

About 4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one

4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one (PubChem CID 25470230) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one
PubChem CID25470230
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one
SMILESC=C1c2ccccc2NC(=O)N1Cc1nc(C)cs1
InChIInChI=1S/C14H13N3OS/c1-9-8-19-13(15-9)7-17-10(2)11-5-3-4-6-12(11)16-14(17)18/h3-6,8H,2,7H2,1H3,(H,16,18)
InChIKeyGSZGUSMYIYYXGW-UHFFFAOYSA-N
XLogP3.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one?
The IUPAC name of 4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one (CID 25470230) is 4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one.
What is the SMILES notation for 4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one?
The canonical SMILES for 4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one is C=C1c2ccccc2NC(=O)N1Cc1nc(C)cs1.
What is the InChIKey of 4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one?
The InChIKey is GSZGUSMYIYYXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-8-19-13(15-9)7-17-10(2)11-5-3-4-6-12(11)16-14(17)18/h3-6,8H,2,7H2,1H3,(H,16,18).
What are the key properties of 4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one?
4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one has a molecular weight of 271.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-quinazolin-2-one is sourced from PubChem (CID 25470230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).