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

C17H14Cl2N6OS — CID 71098546

IUPAC7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESCc1nc2c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)nc(N)nc2s1
InChIInChI=1S/C17H14Cl2N6OS/c1-9-22-15-14(23-17(20)24-16(15)27-9)13-11(19)7-10(18)8-12(13)26-6-5-25-4-2-3-21-25/h2-4,7-8H,5-6H2,1H3,(H2,20,23,24)
InChIKeyMCYPLTWLUNIZML-UHFFFAOYSA-N
MW421.31 g/mol
LogP4.23
Rot. Bonds5

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

7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (PubChem CID 71098546) has the molecular formula C17H14Cl2N6OS and a molecular weight of 421.31 g/mol. Its IUPAC name is 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
PubChem CID71098546
Molecular FormulaC17H14Cl2N6OS
Molecular Weight421.31 g/mol
Exact Mass420.03
IUPAC Name7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESCc1nc2c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)nc(N)nc2s1
InChIInChI=1S/C17H14Cl2N6OS/c1-9-22-15-14(23-17(20)24-16(15)27-9)13-11(19)7-10(18)8-12(13)26-6-5-25-4-2-3-21-25/h2-4,7-8H,5-6H2,1H3,(H2,20,23,24)
InChIKeyMCYPLTWLUNIZML-UHFFFAOYSA-N
XLogP4.23
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (CID 71098546) is 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-2-methyl-[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]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is Cc1nc2c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)nc(N)nc2s1.
What is the InChIKey of 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is MCYPLTWLUNIZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N6OS/c1-9-22-15-14(23-17(20)24-16(15)27-9)13-11(19)7-10(18)8-12(13)26-6-5-25-4-2-3-21-25/h2-4,7-8H,5-6H2,1H3,(H2,20,23,24).
What are the key properties of 7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
7-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 421.31 g/mol, XLogP of 4.23, 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]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 71098546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).