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

C15H10N4O3S — CID 20873124

IUPAC2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1nccs1
InChIInChI=1S/C15H10N4O3S/c20-12(18-15-16-5-6-23-15)8-19-13-9-3-1-2-4-11(9)22-14(21)10(13)7-17-19/h1-7H,8H2,(H,16,18,20)
InChIKeyIEICLDHFWCUJPW-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.24
Rot. Bonds3

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

2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 20873124) has the molecular formula C15H10N4O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID20873124
Molecular FormulaC15H10N4O3S
Molecular Weight326.34 g/mol
Exact Mass326.05
IUPAC Name2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1nccs1
InChIInChI=1S/C15H10N4O3S/c20-12(18-15-16-5-6-23-15)8-19-13-9-3-1-2-4-11(9)22-14(21)10(13)7-17-19/h1-7H,8H2,(H,16,18,20)
InChIKeyIEICLDHFWCUJPW-UHFFFAOYSA-N
XLogP2.24
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 6622016
ethane;2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propylacetamide
CID 91515379
ethane;1-(2-oxopropyl)chromeno[3,4-d]pyrazol-4-one
CID 91292022
N-(3,4-dimethoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20855479
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 20855538
2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 20867867
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20873112
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 20873127
N-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867735
2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 854633
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 20876004
N-benzyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide
CID 20873125

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 20873124) is 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1nccs1.
What is the InChIKey of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is IEICLDHFWCUJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3S/c20-12(18-15-16-5-6-23-15)8-19-13-9-3-1-2-4-11(9)22-14(21)10(13)7-17-19/h1-7H,8H2,(H,16,18,20).
What are the key properties of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 326.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 20873124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).