2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide

C18H25N5O3S2 — CID 16673135

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide
SMILESCn1ncc2c1CCc1sc(NC(=O)CN(C3CCCCC3)S(C)(=O)=O)nc1-2
InChIInChI=1S/C18H25N5O3S2/c1-22-14-8-9-15-17(13(14)10-19-22)21-18(27-15)20-16(24)11-23(28(2,25)26)12-6-4-3-5-7-12/h10,12H,3-9,11H2,1-2H3,(H,20,21,24)
InChIKeyZDEYADSGAUKFEJ-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.17
Rot. Bonds5

About 2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide

2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide (PubChem CID 16673135) has the molecular formula C18H25N5O3S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide
PubChem CID16673135
Molecular FormulaC18H25N5O3S2
Molecular Weight423.56 g/mol
Exact Mass423.14
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide
SMILESCn1ncc2c1CCc1sc(NC(=O)CN(C3CCCCC3)S(C)(=O)=O)nc1-2
InChIInChI=1S/C18H25N5O3S2/c1-22-14-8-9-15-17(13(14)10-19-22)21-18(27-15)20-16(24)11-23(28(2,25)26)12-6-4-3-5-7-12/h10,12H,3-9,11H2,1-2H3,(H,20,21,24)
InChIKeyZDEYADSGAUKFEJ-UHFFFAOYSA-N
XLogP2.17
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide
CID 71928655
3-(4-Fluorobenzenesulfonyl)-N-{6-methyl-4H,5H-[1,3]thiazolo[4,5-E]indazol-2-YL}propanamide
CID 46965454
3-(2-Fluorophenyl)-N-{6-methyl-4H,5H-[1,3]thiazolo[4,5-E]indazol-2-YL}propanamide
CID 46965463
2-(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-YL)-N-{6-methyl-4H,5H-[1,3]thiazolo[4,5-E]indazol-2-YL}acetamide
CID 16672820
7-Acetamido-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazole-1-carboxamide
CID 11492822
N-[1-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 11602260
2-(dimethylamino)-N-[3-(6-methyl-3-pyridinyl)-1-propan-2-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 44226475
N-(1-cyclohex-2-en-1-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
CID 57741203
N-(2-cyclohex-2-en-1-yl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl)acetamide
CID 57741213
2-amino-N-(1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
CID 57741228
N-[1-[4-(methylsulfamoyl)phenyl]-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 57741264
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(1-phenyl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
CID 57741277

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide (CID 16673135) is 2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide is Cn1ncc2c1CCc1sc(NC(=O)CN(C3CCCCC3)S(C)(=O)=O)nc1-2.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide?
The InChIKey is ZDEYADSGAUKFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S2/c1-22-14-8-9-15-17(13(14)10-19-22)21-18(27-15)20-16(24)11-23(28(2,25)26)12-6-4-3-5-7-12/h10,12H,3-9,11H2,1-2H3,(H,20,21,24).
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide has a molecular weight of 423.56 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methylsulfonyl)amino]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide is sourced from PubChem (CID 16673135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).