2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide

C17H16N2O2S2 — CID 67511668

IUPAC2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)c2nccs2)cc1
InChIInChI=1S/C17H16N2O2S2/c1-13-4-6-14(7-5-13)21-12-16(20)19(17-18-8-10-23-17)11-15-3-2-9-22-15/h2-10H,11-12H2,1H3
InChIKeyZPRCVRCDINKUGZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.13
Rot. Bonds6

About 2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 67511668) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID67511668
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)c2nccs2)cc1
InChIInChI=1S/C17H16N2O2S2/c1-13-4-6-14(7-5-13)21-12-16(20)19(17-18-8-10-23-17)11-15-3-2-9-22-15/h2-10H,11-12H2,1H3
InChIKeyZPRCVRCDINKUGZ-UHFFFAOYSA-N
XLogP4.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 67511668) is 2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(OCC(=O)N(Cc2cccs2)c2nccs2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZPRCVRCDINKUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-13-4-6-14(7-5-13)21-12-16(20)19(17-18-8-10-23-17)11-15-3-2-9-22-15/h2-10H,11-12H2,1H3.
What are the key properties of 2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 344.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 67511668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).