3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide

C12H14N2O2S — CID 652739

IUPAC3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2nccs2)o1
InChIInChI=1S/C12H14N2O2S/c1-2-9-3-4-10(16-9)5-6-11(15)14-12-13-7-8-17-12/h3-4,7-8H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyRWPWJKXFSHPIMM-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.87
Rot. Bonds5

About 3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 652739) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID652739
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2nccs2)o1
InChIInChI=1S/C12H14N2O2S/c1-2-9-3-4-10(16-9)5-6-11(15)14-12-13-7-8-17-12/h3-4,7-8H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyRWPWJKXFSHPIMM-UHFFFAOYSA-N
XLogP2.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-Methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
CID 686340
Thiourea, N-(2-(2-furanyl)ethyl)-N'-2-thiazolyl-
CID 3001099
(E)-3-(5-bromofuran-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2314813
4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
(E)-3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2315023
(E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 2673021
3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 3155704
3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 659730
3-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 705798
3-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 4221665
N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
CID 750965
N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide
CID 705778

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 652739) is 3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide is CCc1ccc(CCC(=O)Nc2nccs2)o1.
What is the InChIKey of 3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is RWPWJKXFSHPIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-9-3-4-10(16-9)5-6-11(15)14-12-13-7-8-17-12/h3-4,7-8H,2,5-6H2,1H3,(H,13,14,15).
What are the key properties of 3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 250.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 652739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).