3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one

C17H10F3N3OS2 — CID 24630191

IUPAC3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H10F3N3OS2/c18-17(19,20)11-3-1-10(2-4-11)15-22-12(8-26-15)7-23-9-21-13-5-6-25-14(13)16(23)24/h1-6,8-9H,7H2
InChIKeyLENNJFSMRVZCFK-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.65
Rot. Bonds3

About 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one

3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 24630191) has the molecular formula C17H10F3N3OS2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID24630191
Molecular FormulaC17H10F3N3OS2
Molecular Weight393.42 g/mol
Exact Mass393.02
IUPAC Name3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H10F3N3OS2/c18-17(19,20)11-3-1-10(2-4-11)15-22-12(8-26-15)7-23-9-21-13-5-6-25-14(13)16(23)24/h1-6,8-9H,7H2
InChIKeyLENNJFSMRVZCFK-UHFFFAOYSA-N
XLogP4.65
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-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

Related Compounds

3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 17490025
3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47058114
4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 55733335
3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47160423
3-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 51124152
3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33279473
3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 9287059
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 39014426
3-[(4-iodophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 115650943
O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 67132095
3-[(E)-3-chloroprop-2-enyl]thieno[3,2-d]pyrimidin-4-one
CID 115575432
3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 18123502

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one (CID 24630191) is 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is LENNJFSMRVZCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3OS2/c18-17(19,20)11-3-1-10(2-4-11)15-22-12(8-26-15)7-23-9-21-13-5-6-25-14(13)16(23)24/h1-6,8-9H,7H2.
What are the key properties of 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 393.42 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 24630191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).