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

C17H13ClN4O2S — CID 11574305

IUPACN-[2-(2-chlorobenzoyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)-c1nn(C(=O)c3ccccc3Cl)cc1CC2
InChIInChI=1S/C17H13ClN4O2S/c1-9(23)19-17-20-13-7-6-10-8-22(21-14(10)15(13)25-17)16(24)11-4-2-3-5-12(11)18/h2-5,8H,6-7H2,1H3,(H,19,20,23)
InChIKeyYKFLNVOQVKUVOH-UHFFFAOYSA-N
MW372.84 g/mol
LogP3.41
Rot. Bonds2

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

N-[2-(2-chlorobenzoyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide (PubChem CID 11574305) has the molecular formula C17H13ClN4O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is N-[2-(2-chlorobenzoyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorobenzoyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide
PubChem CID11574305
Molecular FormulaC17H13ClN4O2S
Molecular Weight372.84 g/mol
Exact Mass372.04
IUPAC NameN-[2-(2-chlorobenzoyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)-c1nn(C(=O)c3ccccc3Cl)cc1CC2
InChIInChI=1S/C17H13ClN4O2S/c1-9(23)19-17-20-13-7-6-10-8-22(21-14(10)15(13)25-17)16(24)11-4-2-3-5-12(11)18/h2-5,8H,6-7H2,1H3,(H,19,20,23)
InChIKeyYKFLNVOQVKUVOH-UHFFFAOYSA-N
XLogP3.41
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-chloro-4-cyanophenyl)-3-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 87503105
N-(8-nitro-4,5-dihydrobenzo[g][1,3]benzothiazol-2-yl)acetamide
CID 11716208
N-(6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)acetamide
CID 19985779
N-[1-(4-chlorophenyl)-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 58639706
N-[5-(2-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525044
N-[(6Z)-6-(hydroxymethylidene)-7-oxo-4,5-dihydro-1,3-benzothiazol-2-yl]acetamide
CID 45140772
2-acetamido-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-6-carboxylic acid;ethene
CID 159958847
N-[8-[2-chloro-5-(1-methylsulfonylpiperidin-4-yl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide
CID 89059781
4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-chloro-N-methylbenzamide
CID 59255668
tert-butyl N-(7-acetamido-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-3-yl)carbamate
CID 59006559
ethenyl (3Z)-7-acetamido-1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-3-carbohydrazonate
CID 172940172
N-[3-pyridin-3-yl-1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 59255605

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorobenzoyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide?
The IUPAC name of N-[2-(2-chlorobenzoyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide (CID 11574305) is N-[2-(2-chlorobenzoyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide.
What is the SMILES notation for N-[2-(2-chlorobenzoyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide?
The canonical SMILES for N-[2-(2-chlorobenzoyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide is CC(=O)Nc1nc2c(s1)-c1nn(C(=O)c3ccccc3Cl)cc1CC2.
What is the InChIKey of N-[2-(2-chlorobenzoyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide?
The InChIKey is YKFLNVOQVKUVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2S/c1-9(23)19-17-20-13-7-6-10-8-22(21-14(10)15(13)25-17)16(24)11-4-2-3-5-12(11)18/h2-5,8H,6-7H2,1H3,(H,19,20,23).
What are the key properties of N-[2-(2-chlorobenzoyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide?
N-[2-(2-chlorobenzoyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide has a molecular weight of 372.84 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorobenzoyl)-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]acetamide is sourced from PubChem (CID 11574305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).