7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine

C17H13Cl2N5O3S2 — CID 71098747

IUPAC7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCS(=O)(=O)c1nc(-c2c(Cl)cc(Cl)cc2OCCn2cccn2)c2ncsc2n1
InChIInChI=1S/C17H13Cl2N5O3S2/c1-29(25,26)17-22-14(15-16(23-17)28-9-20-15)13-11(19)7-10(18)8-12(13)27-6-5-24-4-2-3-21-24/h2-4,7-9H,5-6H2,1H3
InChIKeyDXKBCTYTKFHMEQ-UHFFFAOYSA-N
MW470.36 g/mol
LogP3.74
Rot. Bonds6

About 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine

7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 71098747) has the molecular formula C17H13Cl2N5O3S2 and a molecular weight of 470.36 g/mol. Its IUPAC name is 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID71098747
Molecular FormulaC17H13Cl2N5O3S2
Molecular Weight470.36 g/mol
Exact Mass468.98
IUPAC Name7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCS(=O)(=O)c1nc(-c2c(Cl)cc(Cl)cc2OCCn2cccn2)c2ncsc2n1
InChIInChI=1S/C17H13Cl2N5O3S2/c1-29(25,26)17-22-14(15-16(23-17)28-9-20-15)13-11(19)7-10(18)8-12(13)27-6-5-24-4-2-3-21-24/h2-4,7-9H,5-6H2,1H3
InChIKeyDXKBCTYTKFHMEQ-UHFFFAOYSA-N
XLogP3.74
TPSA99.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[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-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine (CID 71098747) is 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine is CS(=O)(=O)c1nc(-c2c(Cl)cc(Cl)cc2OCCn2cccn2)c2ncsc2n1.
What is the InChIKey of 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is DXKBCTYTKFHMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O3S2/c1-29(25,26)17-22-14(15-16(23-17)28-9-20-15)13-11(19)7-10(18)8-12(13)27-6-5-24-4-2-3-21-24/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine?
7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 470.36 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5-methylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 71098747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).