1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine

C12H13N3O2S2 — CID 103413778

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine
SMILESCc1ncc(S(=O)(=O)N2CCc3cc(N)ccc32)s1
InChIInChI=1S/C12H13N3O2S2/c1-8-14-7-12(18-8)19(16,17)15-5-4-9-6-10(13)2-3-11(9)15/h2-3,6-7H,4-5,13H2,1H3
InChIKeyWGUSEANUYFJEGW-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.79
Rot. Bonds2

About 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine

1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine (PubChem CID 103413778) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine
PubChem CID103413778
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine
SMILESCc1ncc(S(=O)(=O)N2CCc3cc(N)ccc32)s1
InChIInChI=1S/C12H13N3O2S2/c1-8-14-7-12(18-8)19(16,17)15-5-4-9-6-10(13)2-3-11(9)15/h2-3,6-7H,4-5,13H2,1H3
InChIKeyWGUSEANUYFJEGW-UHFFFAOYSA-N
XLogP1.79
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138
1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine
CID 103099496
5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide
CID 54947295
1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 62374780
1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine
CID 55262070
1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 61458101
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine
CID 80578213
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine
CID 28707117
N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413759
1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 16642538

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine (CID 103413778) is 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine is Cc1ncc(S(=O)(=O)N2CCc3cc(N)ccc32)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine?
The InChIKey is WGUSEANUYFJEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-8-14-7-12(18-8)19(16,17)15-5-4-9-6-10(13)2-3-11(9)15/h2-3,6-7H,4-5,13H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine?
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine has a molecular weight of 295.39 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine is sourced from PubChem (CID 103413778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).