3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one

C19H24N4OS — CID 2104885

IUPAC3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one
SMILESCN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C19H24N4OS/c1-19(2,3)15-12-25-17(21-15)11-23-16(10-22(4)5)20-14-9-7-6-8-13(14)18(23)24/h6-9,12H,10-11H2,1-5H3
InChIKeyIYYWVEYNNZCCFO-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.26
Rot. Bonds4

About 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one

3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one (PubChem CID 2104885) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one
PubChem CID2104885
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one
SMILESCN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C19H24N4OS/c1-19(2,3)15-12-25-17(21-15)11-23-16(10-22(4)5)20-14-9-7-6-8-13(14)18(23)24/h6-9,12H,10-11H2,1-5H3
InChIKeyIYYWVEYNNZCCFO-UHFFFAOYSA-N
XLogP3.26
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one?
The IUPAC name of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one (CID 2104885) is 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one is CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one?
The InChIKey is IYYWVEYNNZCCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-19(2,3)15-12-25-17(21-15)11-23-16(10-22(4)5)20-14-9-7-6-8-13(14)18(23)24/h6-9,12H,10-11H2,1-5H3.
What are the key properties of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one?
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one has a molecular weight of 356.50 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[(dimethylamino)methyl]quinazolin-4-one is sourced from PubChem (CID 2104885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).