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

C13H14N2O3S2 — CID 107854418

IUPACN-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H14N2O3S2/c1-8-12(19-13(16)14-8)20(17,18)15-11-6-9-4-2-3-5-10(9)7-11/h2-5,11,15H,6-7H2,1H3,(H,14,16)
InChIKeyWZXGYIMFQZQDNK-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.19
Rot. Bonds3

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

N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 107854418) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID107854418
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H14N2O3S2/c1-8-12(19-13(16)14-8)20(17,18)15-11-6-9-4-2-3-5-10(9)7-11/h2-5,11,15H,6-7H2,1H3,(H,14,16)
InChIKeyWZXGYIMFQZQDNK-UHFFFAOYSA-N
XLogP1.19
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 40138955
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 40138953
N-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 42939515
N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723869
N-[1-(2-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723882
N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723898
N-[1-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723920
N-[1-(3,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723935
N-[2-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723946
N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60724736
N-[1-(2,6-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984929
N-[1-(2,5-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61247831

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 107854418) is N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is WZXGYIMFQZQDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-8-12(19-13(16)14-8)20(17,18)15-11-6-9-4-2-3-5-10(9)7-11/h2-5,11,15H,6-7H2,1H3,(H,14,16).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 310.40 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 107854418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).