N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide

C13H14N2O2S2 — CID 154865052

IUPACN-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide
SMILESCc1ccc2c(c1)CCC2NS(=O)(=O)c1cscn1
InChIInChI=1S/C13H14N2O2S2/c1-9-2-4-11-10(6-9)3-5-12(11)15-19(16,17)13-7-18-8-14-13/h2,4,6-8,12,15H,3,5H2,1H3
InChIKeyTWANEQMIZDPPHM-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.42
Rot. Bonds3

About N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide

N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide (PubChem CID 154865052) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide
PubChem CID154865052
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC NameN-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide
SMILESCc1ccc2c(c1)CCC2NS(=O)(=O)c1cscn1
InChIInChI=1S/C13H14N2O2S2/c1-9-2-4-11-10(6-9)3-5-12(11)15-19(16,17)13-7-18-8-14-13/h2,4,6-8,12,15H,3,5H2,1H3
InChIKeyTWANEQMIZDPPHM-UHFFFAOYSA-N
XLogP2.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-2,3-dihydro-1H-inden-1-yl)thieno[3,2-b]pyridine-6-sulfonamide
CID 154872561
4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 154859038
5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide
CID 167874563
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide
CID 79723350
N-[3-[(5-methyl-2,3-dihydro-1H-inden-1-yl)sulfamoyl]phenyl]acetamide
CID 167954905
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide
CID 79723505
N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide
CID 167682226
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CID 120722095
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 120722173
2-amino-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119302154
(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922391
N-butan-2-yl-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 115705716

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide?
The IUPAC name of N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide (CID 154865052) is N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide?
The canonical SMILES for N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide is Cc1ccc2c(c1)CCC2NS(=O)(=O)c1cscn1.
What is the InChIKey of N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide?
The InChIKey is TWANEQMIZDPPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-9-2-4-11-10(6-9)3-5-12(11)15-19(16,17)13-7-18-8-14-13/h2,4,6-8,12,15H,3,5H2,1H3.
What are the key properties of N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide?
N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide has a molecular weight of 294.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 154865052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).