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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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(4-oxochromeno[4,3-c]pyrazol-1-yl)acetamide
CID 3240598
trans-(1S,2S)-2-(4-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 72545063
N-(2-(1H-pyrazol-1-yl)ethyl)-N-(4-fluorobenzo[d]thiazol-2-yl)-2-(m-tolyloxy)acetamide
CID 30868542
N-(1,3-benzothiazol-2-yl)-2-[4-(4-methoxyphenyl)triazol-1-yl]acetamide
CID 155528498
N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 155560353
N-(2-(1H-pyrazol-1-yl)ethyl)-N-(4-fluorobenzo[d]thiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 30868585
2-[(5Z)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 164627595
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 6625099
2-{[2-(4-Methoxyphenyl)pyrazolo[1,5-A]pyrazin-4-YL]sulfanyl}-N-(1,3-thiazol-2-YL)acetamide
CID 27443694
N-(2-(1H-pyrazol-1-yl)ethyl)-N-(benzo[d]thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 30868329
N-(2-(1H-pyrazol-1-yl)ethyl)-N-(benzo[d]thiazol-2-yl)-2-(o-tolyloxy)acetamide
CID 30868344
N-benzyl-N-(6-ethoxybenzo[d]thiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 42110511

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).