N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide

C8H10N2OS — CID 50987751

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cnc(C)s1
InChIInChI=1S/C8H10N2OS/c1-3-8(11)10-5-7-4-9-6(2)12-7/h3-4H,1,5H2,2H3,(H,10,11)
InChIKeyGYXNFDFCNFKHAZ-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.25
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide (PubChem CID 50987751) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
PubChem CID50987751
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cnc(C)s1
InChIInChI=1S/C8H10N2OS/c1-3-8(11)10-5-7-4-9-6(2)12-7/h3-4H,1,5H2,2H3,(H,10,11)
InChIKeyGYXNFDFCNFKHAZ-UHFFFAOYSA-N
XLogP1.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.25
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-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide (CID 50987751) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide is C=CC(=O)NCc1cnc(C)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The InChIKey is GYXNFDFCNFKHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-3-8(11)10-5-7-4-9-6(2)12-7/h3-4H,1,5H2,2H3,(H,10,11).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide has a molecular weight of 182.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide is sourced from PubChem (CID 50987751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).