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

C19H18N2O2S — CID 9043200

IUPACN-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)NCc3ccccc3)cc2)cs1
InChIInChI=1S/C19H18N2O2S/c1-14-21-17(13-24-14)12-23-18-9-7-16(8-10-18)19(22)20-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyDCTPSUWIDJUPQN-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.96
Rot. Bonds6

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

N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 9043200) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID9043200
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)NCc3ccccc3)cc2)cs1
InChIInChI=1S/C19H18N2O2S/c1-14-21-17(13-24-14)12-23-18-9-7-16(8-10-18)19(22)20-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyDCTPSUWIDJUPQN-UHFFFAOYSA-N
XLogP3.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38970613
N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094285
(E)-N-benzyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 46697459
(E)-N-benzyl-2-cyano-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 24505458
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17479318
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 27700367
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 41188420
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-piperidin-1-ylethyl)benzamide
CID 55723522
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 9043200) is N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2ccc(C(=O)NCc3ccccc3)cc2)cs1.
What is the InChIKey of N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is DCTPSUWIDJUPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14-21-17(13-24-14)12-23-18-9-7-16(8-10-18)19(22)20-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 338.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 9043200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).