3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide

C21H19F5N6O2S3 — CID 168679144

IUPAC3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide
SMILESCc1nc(C)c(Cn2nc(-c3nnc(C(F)F)s3)c3cc(S(=O)(=O)NC4(C)CC4)cc(C(F)(F)F)c32)s1
InChIInChI=1S/C21H19F5N6O2S3/c1-9-14(35-10(2)27-9)8-32-16-12(15(30-32)18-28-29-19(36-18)17(22)23)6-11(7-13(16)21(24,25)26)37(33,34)31-20(3)4-5-20/h6-7,17,31H,4-5,8H2,1-3H3
InChIKeyOSICZBQDOCIHSR-UHFFFAOYSA-N
MW578.61 g/mol
LogP5.46
Rot. Bonds7

About 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide

3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide (PubChem CID 168679144) has the molecular formula C21H19F5N6O2S3 and a molecular weight of 578.61 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide
PubChem CID168679144
Molecular FormulaC21H19F5N6O2S3
Molecular Weight578.61 g/mol
Exact Mass578.07
IUPAC Name3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide
SMILESCc1nc(C)c(Cn2nc(-c3nnc(C(F)F)s3)c3cc(S(=O)(=O)NC4(C)CC4)cc(C(F)(F)F)c32)s1
InChIInChI=1S/C21H19F5N6O2S3/c1-9-14(35-10(2)27-9)8-32-16-12(15(30-32)18-28-29-19(36-18)17(22)23)6-11(7-13(16)21(24,25)26)37(33,34)31-20(3)4-5-20/h6-7,17,31H,4-5,8H2,1-3H3
InChIKeyOSICZBQDOCIHSR-UHFFFAOYSA-N
XLogP5.46
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.61
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide with MolForge

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Related Compounds

3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide
CID 168679157
7-chloro-1-(difluoromethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-isocyanocyclopropyl)indazole-5-sulfonamide
CID 169045162
N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide
CID 168679262
N-(1-cyanocyclopropyl)-1-(cyanomethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[(3R)-3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
CID 168679244
3-amino-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 169187257
2-[5-benzylsulfanyl-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-fluoroindazol-3-yl]-5-(difluoromethyl)-1,3,4-thiadiazole
CID 169044827
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-isocyanocyclopropyl)-1-methyl-7-[(3R)-3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
CID 169045139
(2R)-4-[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(1-isocyanocyclopropyl)sulfamoyl]-1-methylindazol-7-yl]-N,N,2-trimethylpiperazine-1-carboxamide
CID 169045072
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-10-oxo-1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-sulfonamide
CID 178165164
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-isocyanocyclopropyl)-1-methyl-7-(4-propan-2-ylsulfonylcyclohexen-1-yl)indazole-5-sulfonamide
CID 176620618
7-[8-[(2S)-2-aminopropanoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-isocyanocyclopropyl)-1-methylindazole-5-sulfonamide
CID 169044781
2-[[3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-8-(methylamino)-6-[(1-methylcyclopropyl)sulfamoyl]imidazo[1,5-a]pyridin-1-yl]methyl]-3,3,3-trifluoropropanoic acid
CID 178165125

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide?
The IUPAC name of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide (CID 168679144) is 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide.
What is the SMILES notation for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide?
The canonical SMILES for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide is Cc1nc(C)c(Cn2nc(-c3nnc(C(F)F)s3)c3cc(S(=O)(=O)NC4(C)CC4)cc(C(F)(F)F)c32)s1.
What is the InChIKey of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide?
The InChIKey is OSICZBQDOCIHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F5N6O2S3/c1-9-14(35-10(2)27-9)8-32-16-12(15(30-32)18-28-29-19(36-18)17(22)23)6-11(7-13(16)21(24,25)26)37(33,34)31-20(3)4-5-20/h6-7,17,31H,4-5,8H2,1-3H3.
What are the key properties of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide?
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide has a molecular weight of 578.61 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-7-(trifluoromethyl)indazole-5-sulfonamide is sourced from PubChem (CID 168679144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).