2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C19H16Cl2N2O2S — CID 42582209

IUPAC2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1cnc(-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C19H16Cl2N2O2S/c1-25-16-8-3-2-5-12(16)10-22-17(24)9-13-11-23-19(26-13)18-14(20)6-4-7-15(18)21/h2-8,11H,9-10H2,1H3,(H,22,24)
InChIKeyRQGWHSUBRHOBKM-UHFFFAOYSA-N
MW407.32 g/mol
LogP4.98
Rot. Bonds6

About 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 42582209) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID42582209
Molecular FormulaC19H16Cl2N2O2S
Molecular Weight407.32 g/mol
Exact Mass406.03
IUPAC Name2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1cnc(-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C19H16Cl2N2O2S/c1-25-16-8-3-2-5-12(16)10-22-17(24)9-13-11-23-19(26-13)18-14(20)6-4-7-15(18)21/h2-8,11H,9-10H2,1H3,(H,22,24)
InChIKeyRQGWHSUBRHOBKM-UHFFFAOYSA-N
XLogP4.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-chloro-N-[(2-methoxyphenyl)methyl]benzamide
CID 63660526
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 71795614
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
N-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
CID 29133226
N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946920
3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9246284
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399257
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41445035
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 42582209) is 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)Cc1cnc(-c2c(Cl)cccc2Cl)s1.
What is the InChIKey of 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is RQGWHSUBRHOBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c1-25-16-8-3-2-5-12(16)10-22-17(24)9-13-11-23-19(26-13)18-14(20)6-4-7-15(18)21/h2-8,11H,9-10H2,1H3,(H,22,24).
What are the key properties of 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 407.32 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 42582209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).