3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C18H16N2O2S — CID 44572247

IUPAC3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cccc(Oc2cccc(C(=O)Nc3nc(C)cs3)c2)c1
InChIInChI=1S/C18H16N2O2S/c1-12-5-3-7-15(9-12)22-16-8-4-6-14(10-16)17(21)20-18-19-13(2)11-23-18/h3-11H,1-2H3,(H,19,20,21)
InChIKeyQRMJIHNNIJYYRD-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.80
Rot. Bonds4

About 3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 44572247) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID44572247
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cccc(Oc2cccc(C(=O)Nc3nc(C)cs3)c2)c1
InChIInChI=1S/C18H16N2O2S/c1-12-5-3-7-15(9-12)22-16-8-4-6-14(10-16)17(21)20-18-19-13(2)11-23-18/h3-11H,1-2H3,(H,19,20,21)
InChIKeyQRMJIHNNIJYYRD-UHFFFAOYSA-N
XLogP4.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596534
3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30854706
N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-3-yloxypyridine-3-carboxamide
CID 86762172
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
3-[(1-methyltetrazol-5-yl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 91946133
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide
CID 54068309
3-methyl-N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2082289
3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 17226207
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 60728580
methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 35569810
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 44572247) is 3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1cccc(Oc2cccc(C(=O)Nc3nc(C)cs3)c2)c1.
What is the InChIKey of 3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is QRMJIHNNIJYYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-5-3-7-15(9-12)22-16-8-4-6-14(10-16)17(21)20-18-19-13(2)11-23-18/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 324.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 44572247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).