5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole

C10H16N4O2S2 — CID 60815113

IUPAC5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole
SMILESCCN(CC)S(=O)(=O)Nc1ncc(C#CCN)s1
InChIInChI=1S/C10H16N4O2S2/c1-3-14(4-2)18(15,16)13-10-12-8-9(17-10)6-5-7-11/h8H,3-4,7,11H2,1-2H3,(H,12,13)
InChIKeyVWRNZOHMTCEPAL-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.45
Rot. Bonds5

About 5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole

5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole (PubChem CID 60815113) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole
PubChem CID60815113
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC Name5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole
SMILESCCN(CC)S(=O)(=O)Nc1ncc(C#CCN)s1
InChIInChI=1S/C10H16N4O2S2/c1-3-14(4-2)18(15,16)13-10-12-8-9(17-10)6-5-7-11/h8H,3-4,7,11H2,1-2H3,(H,12,13)
InChIKeyVWRNZOHMTCEPAL-UHFFFAOYSA-N
XLogP0.45
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.45
H-Bond Donors ≤ 52
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)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine
CID 114812032
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbutane-1-sulfonamide
CID 63856077
2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole
CID 60814917
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
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 54922723
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide
CID 81118341

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole (CID 60815113) is 5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole is CCN(CC)S(=O)(=O)Nc1ncc(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole?
The InChIKey is VWRNZOHMTCEPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-3-14(4-2)18(15,16)13-10-12-8-9(17-10)6-5-7-11/h8H,3-4,7,11H2,1-2H3,(H,12,13).
What are the key properties of 5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole?
5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole has a molecular weight of 288.40 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole is sourced from PubChem (CID 60815113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).