N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide

C14H17N3O2S2 — CID 140564679

IUPACN-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide
SMILESCN(C)C1CCc2ccc(NS(=O)(=O)c3cncs3)cc21
InChIInChI=1S/C14H17N3O2S2/c1-17(2)13-6-4-10-3-5-11(7-12(10)13)16-21(18,19)14-8-15-9-20-14/h3,5,7-9,13,16H,4,6H2,1-2H3
InChIKeyJHNQLLHFYYAXNG-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.49
Rot. Bonds4

About N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide

N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 140564679) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide
PubChem CID140564679
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide
SMILESCN(C)C1CCc2ccc(NS(=O)(=O)c3cncs3)cc21
InChIInChI=1S/C14H17N3O2S2/c1-17(2)13-6-4-10-3-5-11(7-12(10)13)16-21(18,19)14-8-15-9-20-14/h3,5,7-9,13,16H,4,6H2,1-2H3
InChIKeyJHNQLLHFYYAXNG-UHFFFAOYSA-N
XLogP2.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-5-sulfonamide
CID 140564681
N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide
CID 140565096
CID 89130196
CID 89130196
N-(1H-indazol-5-yl)-1,3-thiazole-5-sulfonamide
CID 140564692
N,N-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 54164704
6-ethynyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 22349552
8-bromo-6-(2,6-dichlorophenyl)-2-[[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one
CID 166160089
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide
CID 103415147
(8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine
CID 92846477
(1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154365
6-(2-methoxyphenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 25154405
(1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 167334523

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide (CID 140564679) is N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide is CN(C)C1CCc2ccc(NS(=O)(=O)c3cncs3)cc21.
What is the InChIKey of N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is JHNQLLHFYYAXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-17(2)13-6-4-10-3-5-11(7-12(10)13)16-21(18,19)14-8-15-9-20-14/h3,5,7-9,13,16H,4,6H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide?
N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 323.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 140564679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).