ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate

C9H14N2O2S — CID 91362137

IUPACethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate
SMILESC=CCOC(=O)Nc1cscn1.CC
InChIInChI=1S/C7H8N2O2S.C2H6/c1-2-3-11-7(10)9-6-4-12-5-8-6;1-2/h2,4-5H,1,3H2,(H,9,10);1-2H3
InChIKeyNOYIHYSCAQPIAH-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.90
Rot. Bonds3

About ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate

ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate (PubChem CID 91362137) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate.

Molecular Properties

Compound Nameethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate
PubChem CID91362137
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate
SMILESC=CCOC(=O)Nc1cscn1.CC
InChIInChI=1S/C7H8N2O2S.C2H6/c1-2-3-11-7(10)9-6-4-12-5-8-6;1-2/h2,4-5H,1,3H2,(H,9,10);1-2H3
InChIKeyNOYIHYSCAQPIAH-UHFFFAOYSA-N
XLogP2.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate?
The IUPAC name of ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate (CID 91362137) is ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate.
What is the SMILES notation for ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate?
The canonical SMILES for ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate is C=CCOC(=O)Nc1cscn1.CC.
What is the InChIKey of ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate?
The InChIKey is NOYIHYSCAQPIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S.C2H6/c1-2-3-11-7(10)9-6-4-12-5-8-6;1-2/h2,4-5H,1,3H2,(H,9,10);1-2H3.
What are the key properties of ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate?
ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate has a molecular weight of 214.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate is sourced from PubChem (CID 91362137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).