3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide

C17H16N2O2S2 — CID 8940413

IUPAC3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1
InChIInChI=1S/C17H16N2O2S2/c1-11-19-15(10-22-11)16-7-6-14(23-16)9-18-17(20)12-4-3-5-13(8-12)21-2/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyJSOSUMHDEOQNNQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.12
Rot. Bonds5

About 3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide

3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide (PubChem CID 8940413) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
PubChem CID8940413
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1
InChIInChI=1S/C17H16N2O2S2/c1-11-19-15(10-22-11)16-7-6-14(23-16)9-18-17(20)12-4-3-5-13(8-12)21-2/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyJSOSUMHDEOQNNQ-UHFFFAOYSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488570
3-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488005
2,4-dimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 8940470
2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 40707333
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 24516217
4-cyano-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 8940458
5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8941390
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 33218221
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
2-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941562
4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide
CID 24550813
2-hydroxy-4-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 42574858

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide (CID 8940413) is 3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide is COc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1.
What is the InChIKey of 3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
The InChIKey is JSOSUMHDEOQNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-11-19-15(10-22-11)16-7-6-14(23-16)9-18-17(20)12-4-3-5-13(8-12)21-2/h3-8,10H,9H2,1-2H3,(H,18,20).
What are the key properties of 3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide has a molecular weight of 344.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 8940413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).