N-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

C17H16N4OS — CID 11602260

IUPACN-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)-c1c(cnn1-c1ccc(C)cc1)CC2
InChIInChI=1S/C17H16N4OS/c1-10-3-6-13(7-4-10)21-15-12(9-18-21)5-8-14-16(15)23-17(20-14)19-11(2)22/h3-4,6-7,9H,5,8H2,1-2H3,(H,19,20,22)
InChIKeySFERGKXCSKHSDZ-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.36
Rot. Bonds2

About N-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

N-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (PubChem CID 11602260) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
PubChem CID11602260
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)-c1c(cnn1-c1ccc(C)cc1)CC2
InChIInChI=1S/C17H16N4OS/c1-10-3-6-13(7-4-10)21-15-12(9-18-21)5-8-14-16(15)23-17(20-14)19-11(2)22/h3-4,6-7,9H,5,8H2,1-2H3,(H,19,20,22)
InChIKeySFERGKXCSKHSDZ-UHFFFAOYSA-N
XLogP3.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The IUPAC name of N-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (CID 11602260) is N-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The canonical SMILES for N-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is CC(=O)Nc1nc2c(s1)-c1c(cnn1-c1ccc(C)cc1)CC2.
What is the InChIKey of N-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The InChIKey is SFERGKXCSKHSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-10-3-6-13(7-4-10)21-15-12(9-18-21)5-8-14-16(15)23-17(20-14)19-11(2)22/h3-4,6-7,9H,5,8H2,1-2H3,(H,19,20,22).
What are the key properties of N-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
N-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide has a molecular weight of 324.41 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is sourced from PubChem (CID 11602260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).