3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

C22H22N2O2S — CID 16571914

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESCc1nc(COc2cccc(C(=O)Nc3cccc4c3CCCC4)c2)cs1
InChIInChI=1S/C22H22N2O2S/c1-15-23-18(14-27-15)13-26-19-9-4-8-17(12-19)22(25)24-21-11-5-7-16-6-2-3-10-20(16)21/h4-5,7-9,11-12,14H,2-3,6,10,13H2,1H3,(H,24,25)
InChIKeyMCCNFTSNRWTBNM-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.16
Rot. Bonds5

About 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 16571914) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
PubChem CID16571914
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESCc1nc(COc2cccc(C(=O)Nc3cccc4c3CCCC4)c2)cs1
InChIInChI=1S/C22H22N2O2S/c1-15-23-18(14-27-15)13-26-19-9-4-8-17(12-19)22(25)24-21-11-5-7-16-6-2-3-10-20(16)21/h4-5,7-9,11-12,14H,2-3,6,10,13H2,1H3,(H,24,25)
InChIKeyMCCNFTSNRWTBNM-UHFFFAOYSA-N
XLogP5.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17486337
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 18209521
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide
CID 51262177
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43072092
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38323896
N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 26649681
methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 55445792
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38403977
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1H-pyrazol-5-yl)benzamide
CID 47835663
N-(5-chloro-2-pyridinyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34137278
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55533835
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (CID 16571914) is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is Cc1nc(COc2cccc(C(=O)Nc3cccc4c3CCCC4)c2)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is MCCNFTSNRWTBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-15-23-18(14-27-15)13-26-19-9-4-8-17(12-19)22(25)24-21-11-5-7-16-6-2-3-10-20(16)21/h4-5,7-9,11-12,14H,2-3,6,10,13H2,1H3,(H,24,25).
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 378.50 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 16571914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).