2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide

C18H18N4O2S — CID 16677397

IUPAC2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nc2c(s1)CCc1c-2cnn1C
InChIInChI=1S/C18H18N4O2S/c1-22-13-7-8-15-17(12(13)10-19-22)21-18(25-15)20-16(23)9-11-5-3-4-6-14(11)24-2/h3-6,10H,7-9H2,1-2H3,(H,20,21,23)
InChIKeyFWPIBRGLAMDOSI-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.83
Rot. Bonds4

About 2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide

2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide (PubChem CID 16677397) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide
PubChem CID16677397
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nc2c(s1)CCc1c-2cnn1C
InChIInChI=1S/C18H18N4O2S/c1-22-13-7-8-15-17(12(13)10-19-22)21-18(25-15)20-16(23)9-11-5-3-4-6-14(11)24-2/h3-6,10H,7-9H2,1-2H3,(H,20,21,23)
InChIKeyFWPIBRGLAMDOSI-UHFFFAOYSA-N
XLogP2.83
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide (CID 16677397) is 2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide is COc1ccccc1CC(=O)Nc1nc2c(s1)CCc1c-2cnn1C.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide?
The InChIKey is FWPIBRGLAMDOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-22-13-7-8-15-17(12(13)10-19-22)21-18(25-15)20-16(23)9-11-5-3-4-6-14(11)24-2/h3-6,10H,7-9H2,1-2H3,(H,20,21,23).
What are the key properties of 2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide?
2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide has a molecular weight of 354.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide is sourced from PubChem (CID 16677397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).