2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide

C19H18N2O2S — CID 35541451

IUPAC2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H18N2O2S/c1-23-17-10-6-5-9-16(17)18(22)20-12-11-15-13-24-19(21-15)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyOTCYDUKCGTVZRM-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.79
Rot. Bonds6

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

2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 35541451) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID35541451
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H18N2O2S/c1-23-17-10-6-5-9-16(17)18(22)20-12-11-15-13-24-19(21-15)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyOTCYDUKCGTVZRM-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 892238
N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2098654
2-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 2738815
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 16245966
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide
CID 71973734
US9896452, Example 60
CID 71715448
N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 891670
N-[4-(1,3-benzothiazol-2-yl)benzyl]-2-methoxybenzamide
CID 979773
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
(2,5-Dimethoxyphenyl)[4-({4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperazinyl}carbonyl)phenyl]methanone
CID 2945389

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 35541451) is 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is COc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is OTCYDUKCGTVZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-23-17-10-6-5-9-16(17)18(22)20-12-11-15-13-24-19(21-15)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 338.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 35541451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).