N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide

C20H23N5OS — CID 24816852

IUPACN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1ccccc1-n1ncc2c1CC(C)(C)CC2NC(=O)c1snnc1C
InChIInChI=1S/C20H23N5OS/c1-12-7-5-6-8-16(12)25-17-10-20(3,4)9-15(14(17)11-21-25)22-19(26)18-13(2)23-24-27-18/h5-8,11,15H,9-10H2,1-4H3,(H,22,26)
InChIKeyDMQGWWUPTVTBOS-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.78
Rot. Bonds3

About N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide

N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide (PubChem CID 24816852) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide
PubChem CID24816852
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1ccccc1-n1ncc2c1CC(C)(C)CC2NC(=O)c1snnc1C
InChIInChI=1S/C20H23N5OS/c1-12-7-5-6-8-16(12)25-17-10-20(3,4)9-15(14(17)11-21-25)22-19(26)18-13(2)23-24-27-18/h5-8,11,15H,9-10H2,1-4H3,(H,22,26)
InChIKeyDMQGWWUPTVTBOS-UHFFFAOYSA-N
XLogP3.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide (CID 24816852) is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide is Cc1ccccc1-n1ncc2c1CC(C)(C)CC2NC(=O)c1snnc1C.
What is the InChIKey of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is DMQGWWUPTVTBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-12-7-5-6-8-16(12)25-17-10-20(3,4)9-15(14(17)11-21-25)22-19(26)18-13(2)23-24-27-18/h5-8,11,15H,9-10H2,1-4H3,(H,22,26).
What are the key properties of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide?
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 24816852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).