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

C19H12N4O3S — CID 3240598

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1nc2ccccc2s1
InChIInChI=1S/C19H12N4O3S/c24-16(22-19-21-13-6-2-4-8-15(13)27-19)10-23-17-11-5-1-3-7-14(11)26-18(25)12(17)9-20-23/h1-9H,10H2,(H,21,22,24)
InChIKeyYTJAVXWZTLORKR-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.39
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 3240598) has the molecular formula C19H12N4O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID3240598
Molecular FormulaC19H12N4O3S
Molecular Weight376.40 g/mol
Exact Mass376.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1nc2ccccc2s1
InChIInChI=1S/C19H12N4O3S/c24-16(22-19-21-13-6-2-4-8-15(13)27-19)10-23-17-11-5-1-3-7-14(11)26-18(25)12(17)9-20-23/h1-9H,10H2,(H,21,22,24)
InChIKeyYTJAVXWZTLORKR-UHFFFAOYSA-N
XLogP3.39
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 5309384
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 155558974
US11306081, Example 004
CID 137408497
US11306081, Example 028
CID 156361544
US11306081, Example 029
CID 156361567
US11306081, Example 026
CID 156361579
US11306081, Example 035
CID 156381187
US11306081, Example 030
CID 156381234
US11306081, Example 033
CID 156381275
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 155522950
N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 155560353
3-(4-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 18227506

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 3240598) is N-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is YTJAVXWZTLORKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O3S/c24-16(22-19-21-13-6-2-4-8-15(13)27-19)10-23-17-11-5-1-3-7-14(11)26-18(25)12(17)9-20-23/h1-9H,10H2,(H,21,22,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 376.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 3240598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).