2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C15H12N4O2S — CID 6625099

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)Nc1nccs1
InChIInChI=1S/C15H12N4O2S/c20-13(18-15-16-5-6-22-15)8-19-14-10(7-17-19)9-21-12-4-2-1-3-11(12)14/h1-7H,8-9H2,(H,16,18,20)
InChIKeyMBKLCTQAXJYIQH-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.54
Rot. Bonds3

About 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 6625099) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID6625099
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)Nc1nccs1
InChIInChI=1S/C15H12N4O2S/c20-13(18-15-16-5-6-22-15)8-19-14-10(7-17-19)9-21-12-4-2-1-3-11(12)14/h1-7H,8-9H2,(H,16,18,20)
InChIKeyMBKLCTQAXJYIQH-UHFFFAOYSA-N
XLogP2.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 6625099) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1ncc2c1-c1ccccc1OC2)Nc1nccs1.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is MBKLCTQAXJYIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c20-13(18-15-16-5-6-22-15)8-19-14-10(7-17-19)9-21-12-4-2-1-3-11(12)14/h1-7H,8-9H2,(H,16,18,20).
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 312.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 6625099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).