1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide

C19H23N7O3S2 — CID 175913908

IUPAC1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide
SMILESC=Cc1nnc(-n2ncc3c(N4CCN(C(=O)C(C)C)CC4)cc(S(N)(=O)=O)cc32)s1
InChIInChI=1S/C19H23N7O3S2/c1-4-17-22-23-19(30-17)26-16-10-13(31(20,28)29)9-15(14(16)11-21-26)24-5-7-25(8-6-24)18(27)12(2)3/h4,9-12H,1,5-8H2,2-3H3,(H2,20,28,29)
InChIKeyAVBWAACDHUKMDH-UHFFFAOYSA-N
MW461.57 g/mol
LogP1.47
Rot. Bonds5

About 1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide

1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide (PubChem CID 175913908) has the molecular formula C19H23N7O3S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide.

Molecular Properties

Compound Name1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide
PubChem CID175913908
Molecular FormulaC19H23N7O3S2
Molecular Weight461.57 g/mol
Exact Mass461.13
IUPAC Name1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide
SMILESC=Cc1nnc(-n2ncc3c(N4CCN(C(=O)C(C)C)CC4)cc(S(N)(=O)=O)cc32)s1
InChIInChI=1S/C19H23N7O3S2/c1-4-17-22-23-19(30-17)26-16-10-13(31(20,28)29)9-15(14(16)11-21-26)24-5-7-25(8-6-24)18(27)12(2)3/h4,9-12H,1,5-8H2,2-3H3,(H2,20,28,29)
InChIKeyAVBWAACDHUKMDH-UHFFFAOYSA-N
XLogP1.47
TPSA127.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(1S,2S)-1-cyano-2-(2-hydroxyethyl)cyclopropyl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide
CID 169032113
1-[4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-[[3-(fluoromethyl)oxetan-3-yl]amino]sulfanylindazol-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 169147732
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]-4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]indazole-6-sulfonamide
CID 169032036
4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide
CID 169031982
2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one
CID 110800217
N-[3-(fluoromethyl)oxetan-3-yl]-4-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-trimethylsilylethoxymethyl)indazole-6-sulfonamide
CID 169032035
(2S,6S)-4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)sulfamoyl]indazol-4-yl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 170172942
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 169079538
1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7539819
2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one
CID 113076267
1-[[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]indazol-6-yl]sulfanylamino]cyclopropane-1-carbonitrile
CID 175622949
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide?
The IUPAC name of 1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide (CID 175913908) is 1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide.
What is the SMILES notation for 1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide?
The canonical SMILES for 1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide is C=Cc1nnc(-n2ncc3c(N4CCN(C(=O)C(C)C)CC4)cc(S(N)(=O)=O)cc32)s1.
What is the InChIKey of 1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide?
The InChIKey is AVBWAACDHUKMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3S2/c1-4-17-22-23-19(30-17)26-16-10-13(31(20,28)29)9-15(14(16)11-21-26)24-5-7-25(8-6-24)18(27)12(2)3/h4,9-12H,1,5-8H2,2-3H3,(H2,20,28,29).
What are the key properties of 1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide?
1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide has a molecular weight of 461.57 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethenyl-1,3,4-thiadiazol-2-yl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide is sourced from PubChem (CID 175913908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).