prop-2-enyl N-[2-(formamidomethyl)-1,3-thiazol-5-yl]carbamate

C9H11N3O3S — CID 74032402

IUPACprop-2-enyl N-[2-(formamidomethyl)-1,3-thiazol-5-yl]carbamate
SMILESC=CCOC(=O)Nc1cnc(CNC=O)s1
InChIInChI=1S/C9H11N3O3S/c1-2-3-15-9(14)12-8-5-11-7(16-8)4-10-6-13/h2,5-6H,1,3-4H2,(H,10,13)(H,12,14)
InChIKeyGSVWYDPDJMOSJN-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.12
Rot. Bonds6

About prop-2-enyl N-[2-(formamidomethyl)-1,3-thiazol-5-yl]carbamate

prop-2-enyl N-[2-(formamidomethyl)-1,3-thiazol-5-yl]carbamate (PubChem CID 74032402) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is prop-2-enyl N-[2-(formamidomethyl)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-(formamidomethyl)-1,3-thiazol-5-yl]carbamate
PubChem CID74032402
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Nameprop-2-enyl N-[2-(formamidomethyl)-1,3-thiazol-5-yl]carbamate
SMILESC=CCOC(=O)Nc1cnc(CNC=O)s1
InChIInChI=1S/C9H11N3O3S/c1-2-3-15-9(14)12-8-5-11-7(16-8)4-10-6-13/h2,5-6H,1,3-4H2,(H,10,13)(H,12,14)
InChIKeyGSVWYDPDJMOSJN-UHFFFAOYSA-N
XLogP1.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-(formamidomethyl)-1,3-thiazol-5-yl]carbamate?
The IUPAC name of prop-2-enyl N-[2-(formamidomethyl)-1,3-thiazol-5-yl]carbamate (CID 74032402) is prop-2-enyl N-[2-(formamidomethyl)-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-(formamidomethyl)-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-(formamidomethyl)-1,3-thiazol-5-yl]carbamate is C=CCOC(=O)Nc1cnc(CNC=O)s1.
What is the InChIKey of prop-2-enyl N-[2-(formamidomethyl)-1,3-thiazol-5-yl]carbamate?
The InChIKey is GSVWYDPDJMOSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-2-3-15-9(14)12-8-5-11-7(16-8)4-10-6-13/h2,5-6H,1,3-4H2,(H,10,13)(H,12,14).
What are the key properties of prop-2-enyl N-[2-(formamidomethyl)-1,3-thiazol-5-yl]carbamate?
prop-2-enyl N-[2-(formamidomethyl)-1,3-thiazol-5-yl]carbamate has a molecular weight of 241.27 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-(formamidomethyl)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 74032402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).