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

C19H14N4O2S — CID 5309384

IUPACN-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)Nc1nc2ccccc2s1
InChIInChI=1S/C19H14N4O2S/c24-17(22-19-21-14-6-2-4-8-16(14)26-19)10-23-18-12(9-20-23)11-25-15-7-3-1-5-13(15)18/h1-9H,10-11H2,(H,21,22,24)
InChIKeyIZZBQXVJKDVEAR-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.69
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 5309384) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID5309384
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)Nc1nc2ccccc2s1
InChIInChI=1S/C19H14N4O2S/c24-17(22-19-21-14-6-2-4-8-16(14)26-19)10-23-18-12(9-20-23)11-25-15-7-3-1-5-13(15)18/h1-9H,10-11H2,(H,21,22,24)
InChIKeyIZZBQXVJKDVEAR-UHFFFAOYSA-N
XLogP3.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide (CID 5309384) is N-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is O=C(Cn1ncc2c1-c1ccccc1OC2)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is IZZBQXVJKDVEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-17(22-19-21-14-6-2-4-8-16(14)26-19)10-23-18-12(9-20-23)11-25-15-7-3-1-5-13(15)18/h1-9H,10-11H2,(H,21,22,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 362.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 5309384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).