(E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide

C10H8N2OS2 — CID 2163248

IUPAC(E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1nccs1
InChIInChI=1S/C10H8N2OS2/c13-9(12-10-11-5-7-15-10)4-3-8-2-1-6-14-8/h1-7H,(H,11,12,13)/b4-3+
InChIKeyHXJMWXZUPOLKIM-ONEGZZNKSA-N
MW236.32 g/mol
LogP2.86
Rot. Bonds3

About (E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 2163248) has the molecular formula C10H8N2OS2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID2163248
Molecular FormulaC10H8N2OS2
Molecular Weight236.32 g/mol
Exact Mass236.01
IUPAC Name(E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1nccs1
InChIInChI=1S/C10H8N2OS2/c13-9(12-10-11-5-7-15-10)4-3-8-2-1-6-14-8/h1-7H,(H,11,12,13)/b4-3+
InChIKeyHXJMWXZUPOLKIM-ONEGZZNKSA-N
XLogP2.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2529101
1-Thiazol-2-yl-3-[2-(2-thienyl)ethyl]thiourea
CID 3003027
3-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2370424
2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2991996
3-phenyl-N-(1,3-thiazol-2-yl)acrylamide
CID 1555760
3-[4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]-N-1,3-thiazol-2-ylpropanamide
CID 2063994
2-(phenylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2303777
(2E)-2-cyano-N-1,3-thiazol-2-yl-3-(2-thienyl)acrylamide
CID 2362469
3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide
CID 3163449
2-((4-fluorophenyl)sulfonyl)-N-(thiazol-2-yl)acetamide
CID 7254486
N-(1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 2558912
(2E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 675817

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide (CID 2163248) is (E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1nccs1.
What is the InChIKey of (E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is HXJMWXZUPOLKIM-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H8N2OS2/c13-9(12-10-11-5-7-15-10)4-3-8-2-1-6-14-8/h1-7H,(H,11,12,13)/b4-3+.
What are the key properties of (E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 236.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2163248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).