7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile

C13H5F3N4OS — CID 168825292

IUPAC7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile
SMILESN#Cc1nc(-c2ccc(OC(F)(F)F)cc2)c2ncsc2n1
InChIInChI=1S/C13H5F3N4OS/c14-13(15,16)21-8-3-1-7(2-4-8)10-11-12(22-6-18-11)20-9(5-17)19-10/h1-4,6H
InChIKeyZEMCPZLRDGHFJW-UHFFFAOYSA-N
MW322.27 g/mol
LogP3.52
Rot. Bonds2

About 7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile

7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile (PubChem CID 168825292) has the molecular formula C13H5F3N4OS and a molecular weight of 322.27 g/mol. Its IUPAC name is 7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile
PubChem CID168825292
Molecular FormulaC13H5F3N4OS
Molecular Weight322.27 g/mol
Exact Mass322.01
IUPAC Name7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile
SMILESN#Cc1nc(-c2ccc(OC(F)(F)F)cc2)c2ncsc2n1
InChIInChI=1S/C13H5F3N4OS/c14-13(15,16)21-8-3-1-7(2-4-8)10-11-12(22-6-18-11)20-9(5-17)19-10/h1-4,6H
InChIKeyZEMCPZLRDGHFJW-UHFFFAOYSA-N
XLogP3.52
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile 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

5-amino-2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 133086771
4-[but-2-ynyl(methyl)amino]-5-methyl-6-[4-(trifluoromethoxy)phenyl]pyrimidine-2-carbonitrile
CID 168905432
5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]-2H-triazole-4-carbonitrile
CID 122478369
6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile
CID 158390338
2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094237
2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094110
2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile
CID 169340911
2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 151930953
2-methoxy-8-methyl-3-[4-(trifluoromethoxy)phenyl]quinoline-4-carbonitrile
CID 141451748
5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510431
2-(difluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 71302315
3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 134560299

Frequently Asked Questions

What is the IUPAC name of 7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile?
The IUPAC name of 7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile (CID 168825292) is 7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile is N#Cc1nc(-c2ccc(OC(F)(F)F)cc2)c2ncsc2n1.
What is the InChIKey of 7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile?
The InChIKey is ZEMCPZLRDGHFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F3N4OS/c14-13(15,16)21-8-3-1-7(2-4-8)10-11-12(22-6-18-11)20-9(5-17)19-10/h1-4,6H.
What are the key properties of 7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile?
7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile has a molecular weight of 322.27 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 168825292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).