N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C12H12N2OS2 — CID 9399778

IUPACN-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESC=CCNC(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C12H12N2OS2/c1-2-4-13-11(15)6-10-8-17-12(14-10)9-3-5-16-7-9/h2-3,5,7-8H,1,4,6H2,(H,13,15)
InChIKeyKTRAIHQUAOTKSU-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.72
Rot. Bonds5

About N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 9399778) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID9399778
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC NameN-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESC=CCNC(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C12H12N2OS2/c1-2-4-13-11(15)6-10-8-17-12(14-10)9-3-5-16-7-9/h2-3,5,7-8H,1,4,6H2,(H,13,15)
InChIKeyKTRAIHQUAOTKSU-UHFFFAOYSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 9399582
1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450030
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-(3-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 115703692
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 114751577
N-(4-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 107300543
benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 32982193
2-methoxy-3-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 106107521
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 27760643
N-[2-(2-methylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18114604
N-[(2-methoxyphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9404781

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 9399778) is N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is C=CCNC(=O)Cc1csc(-c2ccsc2)n1.
What is the InChIKey of N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is KTRAIHQUAOTKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-2-4-13-11(15)6-10-8-17-12(14-10)9-3-5-16-7-9/h2-3,5,7-8H,1,4,6H2,(H,13,15).
What are the key properties of N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 264.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 9399778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).