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

C16H16N4OS2 — CID 46959951

IUPACN-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCN(C(=O)Cc1cccs1)c1nc2c(s1)CCc1c-2cnn1C
InChIInChI=1S/C16H16N4OS2/c1-19(14(21)8-10-4-3-7-22-10)16-18-15-11-9-17-20(2)12(11)5-6-13(15)23-16/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyQYJZIBUWNLARCX-UHFFFAOYSA-N
MW344.47 g/mol
LogP2.91
Rot. Bonds3

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

N-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 46959951) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID46959951
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC NameN-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCN(C(=O)Cc1cccs1)c1nc2c(s1)CCc1c-2cnn1C
InChIInChI=1S/C16H16N4OS2/c1-19(14(21)8-10-4-3-7-22-10)16-18-15-11-9-17-20(2)12(11)5-6-13(15)23-16/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyQYJZIBUWNLARCX-UHFFFAOYSA-N
XLogP2.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-thiophen-2-ylacetamide (CID 46959951) is N-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-thiophen-2-ylacetamide is CN(C(=O)Cc1cccs1)c1nc2c(s1)CCc1c-2cnn1C.
What is the InChIKey of N-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is QYJZIBUWNLARCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-19(14(21)8-10-4-3-7-22-10)16-18-15-11-9-17-20(2)12(11)5-6-13(15)23-16/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of N-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
N-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 344.47 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 46959951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).