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

C17H16N2O2S2 — CID 90546701

IUPAC2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1sc(-c2cccs2)nc1C
InChIInChI=1S/C17H16N2O2S2/c1-11-15(23-17(19-11)14-8-5-9-22-14)10-18-16(20)12-6-3-4-7-13(12)21-2/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyQMMBRKZTGXWZKU-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.12
Rot. Bonds5

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

2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 90546701) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID90546701
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1sc(-c2cccs2)nc1C
InChIInChI=1S/C17H16N2O2S2/c1-11-15(23-17(19-11)14-8-5-9-22-14)10-18-16(20)12-6-3-4-7-13(12)21-2/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyQMMBRKZTGXWZKU-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

4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90546415
1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 90546957
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 90546719
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 121122679
3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546721
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-phenoxyacetamide
CID 90546642
2-acetamido-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546880
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide
CID 71795515
1-(2-methylphenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 71795436
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-nitrobenzamide
CID 90546827

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide (CID 90546701) is 2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide is COc1ccccc1C(=O)NCc1sc(-c2cccs2)nc1C.
What is the InChIKey of 2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is QMMBRKZTGXWZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-11-15(23-17(19-11)14-8-5-9-22-14)10-18-16(20)12-6-3-4-7-13(12)21-2/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide?
2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-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 2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 90546701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).