5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

C12H9F2N5S2 — CID 141084690

IUPAC5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESNc1nc2nc(SCc3cccc(F)c3F)nc(N)c2s1
InChIInChI=1S/C12H9F2N5S2/c13-6-3-1-2-5(7(6)14)4-20-12-17-9(15)8-10(19-12)18-11(16)21-8/h1-3H,4H2,(H4,15,16,17,18,19)
InChIKeyGZOCLGGWGDUVFR-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.82
Rot. Bonds3

About 5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (PubChem CID 141084690) has the molecular formula C12H9F2N5S2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
PubChem CID141084690
Molecular FormulaC12H9F2N5S2
Molecular Weight325.37 g/mol
Exact Mass325.03
IUPAC Name5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESNc1nc2nc(SCc3cccc(F)c3F)nc(N)c2s1
InChIInChI=1S/C12H9F2N5S2/c13-6-3-1-2-5(7(6)14)4-20-12-17-9(15)8-10(19-12)18-11(16)21-8/h1-3H,4H2,(H4,15,16,17,18,19)
InChIKeyGZOCLGGWGDUVFR-UHFFFAOYSA-N
XLogP2.82
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine 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

2-[[2-amino-5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]ethanol
CID 22648980
(3R,4R)-3-[[2-amino-5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-hydroxypyrrolidine-1-carboxylic acid
CID 23519847
7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 87079187
2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine
CID 47124414
5-(1-phenylethylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
CID 141157689
(2R)-2-[[5-[(2,3-difluorophenyl)methylsulfanyl]-2-methoxy-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol
CID 69446478
(2R)-2-[[6-amino-2-[(2,3-difluorophenyl)methylsulfanyl]-5-nitrosopyrimidin-4-yl]amino]propan-1-ol
CID 86595915
2-[4,6-dichloro-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-5-yl]acetic acid
CID 22288510
7-chloro-5-[(2,3-difluorophenyl)methylsulfanyl]-2,3-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 142875275
5-cyclopropyl-3-[(2,3-difluorophenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 18145325
(2R)-2-[[2-amino-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol
CID 87798666
2-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 104792341

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The IUPAC name of 5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (CID 141084690) is 5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The canonical SMILES for 5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is Nc1nc2nc(SCc3cccc(F)c3F)nc(N)c2s1.
What is the InChIKey of 5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The InChIKey is GZOCLGGWGDUVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N5S2/c13-6-3-1-2-5(7(6)14)4-20-12-17-9(15)8-10(19-12)18-11(16)21-8/h1-3H,4H2,(H4,15,16,17,18,19).
What are the key properties of 5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine has a molecular weight of 325.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 141084690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).