N-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide

C19H17ClN4OS — CID 16750156

IUPACN-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)-c1c(c(C3CC3)nn1-c1ccccc1Cl)CC2
InChIInChI=1S/C19H17ClN4OS/c1-10(25)21-19-22-14-9-8-12-16(11-6-7-11)23-24(17(12)18(14)26-19)15-5-3-2-4-13(15)20/h2-5,11H,6-9H2,1H3,(H,21,22,25)
InChIKeyZAXZFPZUSOFSET-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.58
Rot. Bonds3

About N-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide

N-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide (PubChem CID 16750156) has the molecular formula C19H17ClN4OS and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide
PubChem CID16750156
Molecular FormulaC19H17ClN4OS
Molecular Weight384.89 g/mol
Exact Mass384.08
IUPAC NameN-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)-c1c(c(C3CC3)nn1-c1ccccc1Cl)CC2
InChIInChI=1S/C19H17ClN4OS/c1-10(25)21-19-22-14-9-8-12-16(11-6-7-11)23-24(17(12)18(14)26-19)15-5-3-2-4-13(15)20/h2-5,11H,6-9H2,1H3,(H,21,22,25)
InChIKeyZAXZFPZUSOFSET-UHFFFAOYSA-N
XLogP4.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide (CID 16750156) is N-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide is CC(=O)Nc1nc2c(s1)-c1c(c(C3CC3)nn1-c1ccccc1Cl)CC2.
What is the InChIKey of N-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide?
The InChIKey is ZAXZFPZUSOFSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4OS/c1-10(25)21-19-22-14-9-8-12-16(11-6-7-11)23-24(17(12)18(14)26-19)15-5-3-2-4-13(15)20/h2-5,11H,6-9H2,1H3,(H,21,22,25).
What are the key properties of N-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide?
N-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide has a molecular weight of 384.89 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-3-cyclopropyl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide is sourced from PubChem (CID 16750156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).