2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C18H15N5O2S2 — CID 27443694

IUPAC2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2cc3c(SCC(=O)Nc4nccs4)nccn3n2)cc1
InChIInChI=1S/C18H15N5O2S2/c1-25-13-4-2-12(3-5-13)14-10-15-17(19-6-8-23(15)22-14)27-11-16(24)21-18-20-7-9-26-18/h2-10H,11H2,1H3,(H,20,21,24)
InChIKeyIBJBPSTXBSNPTC-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.59
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 27443694) has the molecular formula C18H15N5O2S2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID27443694
Molecular FormulaC18H15N5O2S2
Molecular Weight397.49 g/mol
Exact Mass397.07
IUPAC Name2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2cc3c(SCC(=O)Nc4nccs4)nccn3n2)cc1
InChIInChI=1S/C18H15N5O2S2/c1-25-13-4-2-12(3-5-13)14-10-15-17(19-6-8-23(15)22-14)27-11-16(24)21-18-20-7-9-26-18/h2-10H,11H2,1H3,(H,20,21,24)
InChIKeyIBJBPSTXBSNPTC-UHFFFAOYSA-N
XLogP3.59
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 27443694) is 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(-c2cc3c(SCC(=O)Nc4nccs4)nccn3n2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is IBJBPSTXBSNPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S2/c1-25-13-4-2-12(3-5-13)14-10-15-17(19-6-8-23(15)22-14)27-11-16(24)21-18-20-7-9-26-18/h2-10H,11H2,1H3,(H,20,21,24).
What are the key properties of 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 397.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 27443694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).