2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C16H11ClN6OS2 — CID 7199872

IUPAC2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C16H11ClN6OS2/c17-10-1-3-11(4-2-10)23-14-12(7-21-23)15(20-9-19-14)26-8-13(24)22-16-18-5-6-25-16/h1-7,9H,8H2,(H,18,22,24)
InChIKeyDPBJFQXEZQEMQM-UHFFFAOYSA-N
MW402.89 g/mol
LogP3.66
Rot. Bonds5

About 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 7199872) has the molecular formula C16H11ClN6OS2 and a molecular weight of 402.89 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID7199872
Molecular FormulaC16H11ClN6OS2
Molecular Weight402.89 g/mol
Exact Mass402.01
IUPAC Name2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C16H11ClN6OS2/c17-10-1-3-11(4-2-10)23-14-12(7-21-23)15(20-9-19-14)26-8-13(24)22-16-18-5-6-25-16/h1-7,9H,8H2,(H,18,22,24)
InChIKeyDPBJFQXEZQEMQM-UHFFFAOYSA-N
XLogP3.66
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 7199872) is 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1nccs1.
What is the InChIKey of 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DPBJFQXEZQEMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6OS2/c17-10-1-3-11(4-2-10)23-14-12(7-21-23)15(20-9-19-14)26-8-13(24)22-16-18-5-6-25-16/h1-7,9H,8H2,(H,18,22,24).
What are the key properties of 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 402.89 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7199872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).