4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

C15H12N2O2S2 — CID 746912

IUPAC4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C15H12N2O2S2/c1-19-11-6-4-10(5-7-11)14(18)17-15-16-12(9-21-15)13-3-2-8-20-13/h2-9H,1H3,(H,16,17,18)
InChIKeyARDXTNYXOIAXHF-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.13
Rot. Bonds4

About 4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 746912) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID746912
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Name4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C15H12N2O2S2/c1-19-11-6-4-10(5-7-11)14(18)17-15-16-12(9-21-15)13-3-2-8-20-13/h2-9H,1H3,(H,16,17,18)
InChIKeyARDXTNYXOIAXHF-UHFFFAOYSA-N
XLogP4.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 746912) is 4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1.
What is the InChIKey of 4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ARDXTNYXOIAXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c1-19-11-6-4-10(5-7-11)14(18)17-15-16-12(9-21-15)13-3-2-8-20-13/h2-9H,1H3,(H,16,17,18).
What are the key properties of 4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 316.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 746912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).