2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide

C14H16N2O3S2 — CID 74245531

IUPAC2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCC(=O)c1cc(CC(=O)N(CCO)Cc2nccs2)cs1
InChIInChI=1S/C14H16N2O3S2/c1-10(18)12-6-11(9-21-12)7-14(19)16(3-4-17)8-13-15-2-5-20-13/h2,5-6,9,17H,3-4,7-8H2,1H3
InChIKeyGHMXMCHUUUBANY-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.97
Rot. Bonds7

About 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide

2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 74245531) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID74245531
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCC(=O)c1cc(CC(=O)N(CCO)Cc2nccs2)cs1
InChIInChI=1S/C14H16N2O3S2/c1-10(18)12-6-11(9-21-12)7-14(19)16(3-4-17)8-13-15-2-5-20-13/h2,5-6,9,17H,3-4,7-8H2,1H3
InChIKeyGHMXMCHUUUBANY-UHFFFAOYSA-N
XLogP1.97
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 74245531) is 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide is CC(=O)c1cc(CC(=O)N(CCO)Cc2nccs2)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is GHMXMCHUUUBANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-10(18)12-6-11(9-21-12)7-14(19)16(3-4-17)8-13-15-2-5-20-13/h2,5-6,9,17H,3-4,7-8H2,1H3.
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 324.43 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 74245531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).