7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

C13H10ClFN4S2 — CID 87079187

IUPAC7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESNc1nc2nc(SCCc3ccccc3F)nc(Cl)c2s1
InChIInChI=1S/C13H10ClFN4S2/c14-10-9-11(18-12(16)21-9)19-13(17-10)20-6-5-7-3-1-2-4-8(7)15/h1-4H,5-6H2,(H2,16,17,18,19)
InChIKeySHZXRVSZFMCTJC-UHFFFAOYSA-N
MW340.84 g/mol
LogP3.80
Rot. Bonds4

About 7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (PubChem CID 87079187) has the molecular formula C13H10ClFN4S2 and a molecular weight of 340.84 g/mol. Its IUPAC name is 7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
PubChem CID87079187
Molecular FormulaC13H10ClFN4S2
Molecular Weight340.84 g/mol
Exact Mass340.00
IUPAC Name7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESNc1nc2nc(SCCc3ccccc3F)nc(Cl)c2s1
InChIInChI=1S/C13H10ClFN4S2/c14-10-9-11(18-12(16)21-9)19-13(17-10)20-6-5-7-3-1-2-4-8(7)15/h1-4H,5-6H2,(H2,16,17,18,19)
InChIKeySHZXRVSZFMCTJC-UHFFFAOYSA-N
XLogP3.80
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine 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-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The IUPAC name of 7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (CID 87079187) is 7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.
What is the SMILES notation for 7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The canonical SMILES for 7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is Nc1nc2nc(SCCc3ccccc3F)nc(Cl)c2s1.
What is the InChIKey of 7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The InChIKey is SHZXRVSZFMCTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4S2/c14-10-9-11(18-12(16)21-9)19-13(17-10)20-6-5-7-3-1-2-4-8(7)15/h1-4H,5-6H2,(H2,16,17,18,19).
What are the key properties of 7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine has a molecular weight of 340.84 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[2-(2-fluorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is sourced from PubChem (CID 87079187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).