5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide

C13H14N4O2S2 — CID 64851872

IUPAC5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2c[nH]c3ccc(N)cc23)sc1C
InChIInChI=1S/C13H14N4O2S2/c1-7-8(2)20-13(16-7)17-21(18,19)12-6-15-11-4-3-9(14)5-10(11)12/h3-6,15H,14H2,1-2H3,(H,16,17)
InChIKeyJEMVXSLEPCGUAJ-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.62
Rot. Bonds3

About 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide

5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide (PubChem CID 64851872) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide
PubChem CID64851872
Molecular FormulaC13H14N4O2S2
Molecular Weight322.42 g/mol
Exact Mass322.06
IUPAC Name5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2c[nH]c3ccc(N)cc23)sc1C
InChIInChI=1S/C13H14N4O2S2/c1-7-8(2)20-13(16-7)17-21(18,19)12-6-15-11-4-3-9(14)5-10(11)12/h3-6,15H,14H2,1-2H3,(H,16,17)
InChIKeyJEMVXSLEPCGUAJ-UHFFFAOYSA-N
XLogP2.62
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide (CID 64851872) is 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide is Cc1nc(NS(=O)(=O)c2c[nH]c3ccc(N)cc23)sc1C.
What is the InChIKey of 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide?
The InChIKey is JEMVXSLEPCGUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c1-7-8(2)20-13(16-7)17-21(18,19)12-6-15-11-4-3-9(14)5-10(11)12/h3-6,15H,14H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide?
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide has a molecular weight of 322.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 64851872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).