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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Related Compounds

Indole, 3-(N-2-thiazolylformimidoyl)-
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1-[2-(1H-Indol-3-yl)-ethyl]-3-thiazol-2-yl-thiourea
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4-(1H-indol-3-yl)-1,3-thiazol-2-amine
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4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 2118298
2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
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4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine
CID 912884
5-[3-(1-Benzyl-pyrrolidin-3-yl)-indole-1-sulfonyl]-4-methyl-thiazol-2-ylamine
CID 10115005
N-(5-bromothiazol-2-ylcarbamoyl)-1-methyl-1H-indole-3-sulfonamide
CID 42635072
1-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 10455977
5-Thiazolylsulfonyl tryptamine, 11p
CID 24768513
(6S)-6-N-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 60148497
6-N-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 60148498

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).