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

C19H17ClN2O2S — CID 23613074

IUPAC3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2csc(-c3ccc(C)cc3)n2)cc1Cl
InChIInChI=1S/C19H17ClN2O2S/c1-12-3-5-13(6-4-12)19-22-15(11-25-19)10-21-18(23)14-7-8-17(24-2)16(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyXHOHRSAVBJHYOW-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.71
Rot. Bonds5

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

3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide (PubChem CID 23613074) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
PubChem CID23613074
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2csc(-c3ccc(C)cc3)n2)cc1Cl
InChIInChI=1S/C19H17ClN2O2S/c1-12-3-5-13(6-4-12)19-22-15(11-25-19)10-21-18(23)14-7-8-17(24-2)16(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyXHOHRSAVBJHYOW-UHFFFAOYSA-N
XLogP4.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide
CID 35541475
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613096
methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 80574115
3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287435
2-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 17164148
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
ethyl 2-[[(3-chloro-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 165403795
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788443
3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47290705
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide (CID 23613074) is 3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide is COc1ccc(C(=O)NCc2csc(-c3ccc(C)cc3)n2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide?
The InChIKey is XHOHRSAVBJHYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-12-3-5-13(6-4-12)19-22-15(11-25-19)10-21-18(23)14-7-8-17(24-2)16(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,23).
What are the key properties of 3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide?
3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide has a molecular weight of 372.88 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide is sourced from PubChem (CID 23613074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).