5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine

C8H12N4O2S2 — CID 114812032

IUPAC5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine
SMILESCCNS(=O)(=O)Nc1ncc(C#CCN)s1
InChIInChI=1S/C8H12N4O2S2/c1-2-11-16(13,14)12-8-10-6-7(15-8)4-3-5-9/h6,11H,2,5,9H2,1H3,(H,10,12)
InChIKeyQULNUUFFKGKWCY-UHFFFAOYSA-N
MW260.34 g/mol
LogP-0.28
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine

5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine (PubChem CID 114812032) has the molecular formula C8H12N4O2S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine
PubChem CID114812032
Molecular FormulaC8H12N4O2S2
Molecular Weight260.34 g/mol
Exact Mass260.04
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine
SMILESCCNS(=O)(=O)Nc1ncc(C#CCN)s1
InChIInChI=1S/C8H12N4O2S2/c1-2-11-16(13,14)12-8-10-6-7(15-8)4-3-5-9/h6,11H,2,5,9H2,1H3,(H,10,12)
InChIKeyQULNUUFFKGKWCY-UHFFFAOYSA-N
XLogP-0.28
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole
CID 60815113
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbutane-1-sulfonamide
CID 63856077
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361539
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 62063011
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]morpholine-4-sulfonamide
CID 60814950
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propane-1-sulfonamide
CID 60813569
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-cyanobenzenesulfonamide
CID 60812944
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide
CID 106598860
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 60803559
2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole
CID 60814917
2-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)aniline
CID 114812037
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 55050505

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine (CID 114812032) is 5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine is CCNS(=O)(=O)Nc1ncc(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine?
The InChIKey is QULNUUFFKGKWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S2/c1-2-11-16(13,14)12-8-10-6-7(15-8)4-3-5-9/h6,11H,2,5,9H2,1H3,(H,10,12).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine?
5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 114812032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).