prop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate

C11H14N4O4S2 — CID 70109437

IUPACprop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate
SMILESC=CCOC(=O)N(C)S(=O)(=O)c1c(CN)sc2cncn12
InChIInChI=1S/C11H14N4O4S2/c1-3-4-19-11(16)14(2)21(17,18)10-8(5-12)20-9-6-13-7-15(9)10/h3,6-7H,1,4-5,12H2,2H3
InChIKeyPUFSDWFDROBYFP-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.80
Rot. Bonds5

About prop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate

prop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate (PubChem CID 70109437) has the molecular formula C11H14N4O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is prop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate
PubChem CID70109437
Molecular FormulaC11H14N4O4S2
Molecular Weight330.39 g/mol
Exact Mass330.05
IUPAC Nameprop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate
SMILESC=CCOC(=O)N(C)S(=O)(=O)c1c(CN)sc2cncn12
InChIInChI=1S/C11H14N4O4S2/c1-3-4-19-11(16)14(2)21(17,18)10-8(5-12)20-9-6-13-7-15(9)10/h3,6-7H,1,4-5,12H2,2H3
InChIKeyPUFSDWFDROBYFP-UHFFFAOYSA-N
XLogP0.80
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate?
The IUPAC name of prop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate (CID 70109437) is prop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate.
What is the SMILES notation for prop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate?
The canonical SMILES for prop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate is C=CCOC(=O)N(C)S(=O)(=O)c1c(CN)sc2cncn12.
What is the InChIKey of prop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate?
The InChIKey is PUFSDWFDROBYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S2/c1-3-4-19-11(16)14(2)21(17,18)10-8(5-12)20-9-6-13-7-15(9)10/h3,6-7H,1,4-5,12H2,2H3.
What are the key properties of prop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate?
prop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate has a molecular weight of 330.39 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-(aminomethyl)imidazo[5,1-b][1,3]thiazol-3-yl]sulfonyl-N-methylcarbamate is sourced from PubChem (CID 70109437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).