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

C16H12Cl2N6OS — CID 69167080

IUPAC7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESNc1nc(-c2c(Cl)cc(Cl)cc2OCCn2cccn2)c2ncsc2n1
InChIInChI=1S/C16H12Cl2N6OS/c17-9-6-10(18)12(11(7-9)25-5-4-24-3-1-2-21-24)13-14-15(26-8-20-14)23-16(19)22-13/h1-3,6-8H,4-5H2,(H2,19,22,23)
InChIKeyIVDFSXWNGSUWQS-UHFFFAOYSA-N
MW407.29 g/mol
LogP3.92
Rot. Bonds5

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

7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (PubChem CID 69167080) has the molecular formula C16H12Cl2N6OS and a molecular weight of 407.29 g/mol. Its IUPAC name is 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
PubChem CID69167080
Molecular FormulaC16H12Cl2N6OS
Molecular Weight407.29 g/mol
Exact Mass406.02
IUPAC Name7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESNc1nc(-c2c(Cl)cc(Cl)cc2OCCn2cccn2)c2ncsc2n1
InChIInChI=1S/C16H12Cl2N6OS/c17-9-6-10(18)12(11(7-9)25-5-4-24-3-1-2-21-24)13-14-15(26-8-20-14)23-16(19)22-13/h1-3,6-8H,4-5H2,(H2,19,22,23)
InChIKeyIVDFSXWNGSUWQS-UHFFFAOYSA-N
XLogP3.92
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-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-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (CID 69167080) is 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.
What is the SMILES notation for 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is Nc1nc(-c2c(Cl)cc(Cl)cc2OCCn2cccn2)c2ncsc2n1.
What is the InChIKey of 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is IVDFSXWNGSUWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N6OS/c17-9-6-10(18)12(11(7-9)25-5-4-24-3-1-2-21-24)13-14-15(26-8-20-14)23-16(19)22-13/h1-3,6-8H,4-5H2,(H2,19,22,23).
What are the key properties of 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 407.29 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 69167080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).