2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

C21H18N4O3S — CID 20880126

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)Cn3ncc4c3-c3ccccc3OC4)sc2c1
InChIInChI=1S/C21H18N4O3S/c1-2-27-14-7-8-16-18(9-14)29-21(23-16)24-19(26)11-25-20-13(10-22-25)12-28-17-6-4-3-5-15(17)20/h3-10H,2,11-12H2,1H3,(H,23,24,26)
InChIKeyLEGDFZIAVNZYEE-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.09
Rot. Bonds5

About 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 20880126) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID20880126
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)Cn3ncc4c3-c3ccccc3OC4)sc2c1
InChIInChI=1S/C21H18N4O3S/c1-2-27-14-7-8-16-18(9-14)29-21(23-16)24-19(26)11-25-20-13(10-22-25)12-28-17-6-4-3-5-15(17)20/h3-10H,2,11-12H2,1H3,(H,23,24,26)
InChIKeyLEGDFZIAVNZYEE-UHFFFAOYSA-N
XLogP4.09
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]acetamide
CID 20880155
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 25470450
2-(4-benzylpiperazin-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 17066517
(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 8571688
N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20880030
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylacetamide
CID 7992190
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4608315
2-(1,3-benzodioxol-5-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41107512
4-(1,3-dioxoisoindol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 2677097
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 167869533
2-(2,2-dimethylmorpholin-4-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 37403117

Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide (CID 20880126) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide is CCOc1ccc2nc(NC(=O)Cn3ncc4c3-c3ccccc3OC4)sc2c1.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is LEGDFZIAVNZYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-2-27-14-7-8-16-18(9-14)29-21(23-16)24-19(26)11-25-20-13(10-22-25)12-28-17-6-4-3-5-15(17)20/h3-10H,2,11-12H2,1H3,(H,23,24,26).
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 406.47 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 20880126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).