7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine

C16H14F2N4S — CID 166279009

IUPAC7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCc1ccc(F)c(C2CCCN2c2ncnc3scnc23)c1F
InChIInChI=1S/C16H14F2N4S/c1-9-4-5-10(17)12(13(9)18)11-3-2-6-22(11)15-14-16(20-7-19-15)23-8-21-14/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyWSXVLXLBXDOFOI-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.01
Rot. Bonds2

About 7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine

7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 166279009) has the molecular formula C16H14F2N4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID166279009
Molecular FormulaC16H14F2N4S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCc1ccc(F)c(C2CCCN2c2ncnc3scnc23)c1F
InChIInChI=1S/C16H14F2N4S/c1-9-4-5-10(17)12(13(9)18)11-3-2-6-22(11)15-14-16(20-7-19-15)23-8-21-14/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyWSXVLXLBXDOFOI-UHFFFAOYSA-N
XLogP4.01
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine 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 7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine (CID 166279009) is 7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine is Cc1ccc(F)c(C2CCCN2c2ncnc3scnc23)c1F.
What is the InChIKey of 7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is WSXVLXLBXDOFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4S/c1-9-4-5-10(17)12(13(9)18)11-3-2-6-22(11)15-14-16(20-7-19-15)23-8-21-14/h4-5,7-8,11H,2-3,6H2,1H3.
What are the key properties of 7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 332.38 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 166279009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).