N-(1,3-thiazol-2-yl)prop-2-enamide

C6H6N2OS — CID 543201

IUPACN-(1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nccs1
InChIInChI=1S/C6H6N2OS/c1-2-5(9)8-6-7-3-4-10-6/h2-4H,1H2,(H,7,8,9)
InChIKeyGJQQHYNZZYZIKE-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.27
Rot. Bonds2

About N-(1,3-thiazol-2-yl)prop-2-enamide

N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 543201) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID543201
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC NameN-(1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nccs1
InChIInChI=1S/C6H6N2OS/c1-2-5(9)8-6-7-3-4-10-6/h2-4H,1H2,(H,7,8,9)
InChIKeyGJQQHYNZZYZIKE-UHFFFAOYSA-N
XLogP1.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of N-(1,3-thiazol-2-yl)prop-2-enamide (CID 543201) is N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)prop-2-enamide is C=CC(=O)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is GJQQHYNZZYZIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c1-2-5(9)8-6-7-3-4-10-6/h2-4H,1H2,(H,7,8,9).
What are the key properties of N-(1,3-thiazol-2-yl)prop-2-enamide?
N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 154.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 543201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).