N-(1,3-thiazol-4-ylmethyl)but-2-enamide

C8H10N2OS — CID 78986565

IUPACN-(1,3-thiazol-4-ylmethyl)but-2-enamide
SMILESCC=CC(=O)NCc1cscn1
InChIInChI=1S/C8H10N2OS/c1-2-3-8(11)9-4-7-5-12-6-10-7/h2-3,5-6H,4H2,1H3,(H,9,11)
InChIKeyVIFKRTYAMCIPDC-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.34
Rot. Bonds3

About N-(1,3-thiazol-4-ylmethyl)but-2-enamide

N-(1,3-thiazol-4-ylmethyl)but-2-enamide (PubChem CID 78986565) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)but-2-enamide.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)but-2-enamide
PubChem CID78986565
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC NameN-(1,3-thiazol-4-ylmethyl)but-2-enamide
SMILESCC=CC(=O)NCc1cscn1
InChIInChI=1S/C8H10N2OS/c1-2-3-8(11)9-4-7-5-12-6-10-7/h2-3,5-6H,4H2,1H3,(H,9,11)
InChIKeyVIFKRTYAMCIPDC-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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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Related Compounds

N-(1,3-thiazol-4-ylmethyl)prop-2-enamide
CID 63831538
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238
4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 63831533
N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide
CID 63824471
3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 63824458
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride
CID 119868973
2-methyl-1-(1,3-thiazol-4-ylmethyl)guanidine
CID 62407841
N-ethyl-2-(1,3-thiazol-4-yl)acetamide
CID 110462780
2,2,3-trimethyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)butanoic acid
CID 65265568

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)but-2-enamide?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)but-2-enamide (CID 78986565) is N-(1,3-thiazol-4-ylmethyl)but-2-enamide.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)but-2-enamide?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)but-2-enamide is CC=CC(=O)NCc1cscn1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)but-2-enamide?
The InChIKey is VIFKRTYAMCIPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-2-3-8(11)9-4-7-5-12-6-10-7/h2-3,5-6H,4H2,1H3,(H,9,11).
What are the key properties of N-(1,3-thiazol-4-ylmethyl)but-2-enamide?
N-(1,3-thiazol-4-ylmethyl)but-2-enamide has a molecular weight of 182.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)but-2-enamide is sourced from PubChem (CID 78986565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).