N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide

C13H13N3OS — CID 9087191

IUPACN-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C13H13N3OS/c1-8-12(18-16-15-8)13(17)14-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H,14,17)
InChIKeyOVBSAMPCEPYFPU-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.59
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 9087191) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID9087191
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C13H13N3OS/c1-8-12(18-16-15-8)13(17)14-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H,14,17)
InChIKeyOVBSAMPCEPYFPU-UHFFFAOYSA-N
XLogP2.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
CID 82862458
2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54926713
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 18276754
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 7576779
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535641
2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
CID 65346450
N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 60805127
N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 1468296
N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2-[(4-nitrobenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468297
N-(2,3-dihydro-1H-inden-5-yl)-2,4-dimethylquinoline-3-carboxamide
CID 9047175

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide (CID 9087191) is N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is OVBSAMPCEPYFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-8-12(18-16-15-8)13(17)14-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H,14,17).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 9087191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).