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

C17H15FN4OS — CID 11660172

IUPACN-[1-(5-fluoro-2-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)-c1c(cnn1-c1cc(F)ccc1C)CC2
InChIInChI=1S/C17H15FN4OS/c1-9-3-5-12(18)7-14(9)22-15-11(8-19-22)4-6-13-16(15)24-17(21-13)20-10(2)23/h3,5,7-8H,4,6H2,1-2H3,(H,20,21,23)
InChIKeyCSNSVXRUXDYDJY-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.50
Rot. Bonds2

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

N-[1-(5-fluoro-2-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (PubChem CID 11660172) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
PubChem CID11660172
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC NameN-[1-(5-fluoro-2-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)-c1c(cnn1-c1cc(F)ccc1C)CC2
InChIInChI=1S/C17H15FN4OS/c1-9-3-5-12(18)7-14(9)22-15-11(8-19-22)4-6-13-16(15)24-17(21-13)20-10(2)23/h3,5,7-8H,4,6H2,1-2H3,(H,20,21,23)
InChIKeyCSNSVXRUXDYDJY-UHFFFAOYSA-N
XLogP3.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Phenyl-4,5-dihydropyrazolo[4,3-e][1,3]benzothiazol-2-amine
CID 712700
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 24936727
N-(6-methylpyridin-2-yl)-5,6-dihydro-4H-thiazolo[4,5-e]indazol-2-amine
CID 46836497
N-(4,6-dimethyl-2-pyridinyl)-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 53387724
3-[[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamoylamino]-N-(3-methyl-2H-pyrrol-5-yl)propanamide
CID 58532021
US10669246, Example 95
CID 138504601
US10669246, Example 73
CID 138504739
3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-1,3-thiazol-2-ylacrylamide
CID 2173119
(E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2360937
N-isopropyl-6-(1-phenyl-1H-pyrazol-5-yl)benzo[d]thiazol-2-amine
CID 44448073
N-isopropyl-6-(1-m-tolyl-1H-pyrazol-5-yl)benzo[d]thiazol-2-amine
CID 44448077
N-isopropyl-6-(1-o-tolyl-1H-pyrazol-5-yl)benzo[d]thiazol-2-amine
CID 44448078

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The IUPAC name of N-[1-(5-fluoro-2-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (CID 11660172) is N-[1-(5-fluoro-2-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.
What is the SMILES notation for N-[1-(5-fluoro-2-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The canonical SMILES for N-[1-(5-fluoro-2-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is CC(=O)Nc1nc2c(s1)-c1c(cnn1-c1cc(F)ccc1C)CC2.
What is the InChIKey of N-[1-(5-fluoro-2-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The InChIKey is CSNSVXRUXDYDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c1-9-3-5-12(18)7-14(9)22-15-11(8-19-22)4-6-13-16(15)24-17(21-13)20-10(2)23/h3,5,7-8H,4,6H2,1-2H3,(H,20,21,23).
What are the key properties of N-[1-(5-fluoro-2-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
N-[1-(5-fluoro-2-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is sourced from PubChem (CID 11660172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).