4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane

C16H20N2OS2 — CID 142069141

IUPAC4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane
SMILESC#CC(NC(=O)c1scnc1CC)c1cccs1.CCC
InChIInChI=1S/C13H12N2OS2.C3H8/c1-3-9(11-6-5-7-17-11)15-13(16)12-10(4-2)14-8-18-12;1-3-2/h1,5-9H,4H2,2H3,(H,15,16);3H2,1-2H3
InChIKeyIHDSQZLDZULFNX-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.29
Rot. Bonds4

About 4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane

4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane (PubChem CID 142069141) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane.

Molecular Properties

Compound Name4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane
PubChem CID142069141
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane
SMILESC#CC(NC(=O)c1scnc1CC)c1cccs1.CCC
InChIInChI=1S/C13H12N2OS2.C3H8/c1-3-9(11-6-5-7-17-11)15-13(16)12-10(4-2)14-8-18-12;1-3-2/h1,5-9H,4H2,2H3,(H,15,16);3H2,1-2H3
InChIKeyIHDSQZLDZULFNX-UHFFFAOYSA-N
XLogP4.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide
CID 130696117
1-thiophen-2-ylprop-2-ynylhydrazine
CID 105193613
N-[cyano(thiophen-2-yl)methyl]-4-methyl-2-methylsulfonyl-1,3-thiazole-5-carboxamide
CID 142633567
N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide
CID 18983827
2-(but-3-yn-2-ylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 114418385
3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 62794621
4-oxo-4-(propylamino)-3-thiophen-2-ylbutanoic acid
CID 112515750
5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 55229031
N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide
CID 55903262
6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 47316391
N-[[2-(4-carbamoylpiperidin-1-yl)-3-pyridinyl]methyl]-4-ethyl-1,3-thiazole-5-carboxamide
CID 136517057
2-(prop-2-ynylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78912864

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane?
The IUPAC name of 4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane (CID 142069141) is 4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane.
What is the SMILES notation for 4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane?
The canonical SMILES for 4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane is C#CC(NC(=O)c1scnc1CC)c1cccs1.CCC.
What is the InChIKey of 4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane?
The InChIKey is IHDSQZLDZULFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2.C3H8/c1-3-9(11-6-5-7-17-11)15-13(16)12-10(4-2)14-8-18-12;1-3-2/h1,5-9H,4H2,2H3,(H,15,16);3H2,1-2H3.
What are the key properties of 4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane?
4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane has a molecular weight of 320.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane is sourced from PubChem (CID 142069141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).