N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide

C19H17ClN2O2S — CID 42353300

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1
InChIInChI=1S/C19H17ClN2O2S/c1-24-12-14-5-2-6-15(8-14)18(23)22-19-21-11-17(25-19)10-13-4-3-7-16(20)9-13/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChIKeyGCFRNXUROFTJEM-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.79
Rot. Bonds6

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide (PubChem CID 42353300) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
PubChem CID42353300
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1
InChIInChI=1S/C19H17ClN2O2S/c1-24-12-14-5-2-6-15(8-14)18(23)22-19-21-11-17(25-19)10-13-4-3-7-16(20)9-13/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChIKeyGCFRNXUROFTJEM-UHFFFAOYSA-N
XLogP4.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 86920266
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide
CID 16651082
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 42027870
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide
CID 3410900
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 33202259
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974494
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide
CID 2239682
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(propan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 30829823
2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 43045656
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(4-methylphenyl)furan-3-carboxamide
CID 16650782
methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55873263

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide (CID 42353300) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide?
The InChIKey is GCFRNXUROFTJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-24-12-14-5-2-6-15(8-14)18(23)22-19-21-11-17(25-19)10-13-4-3-7-16(20)9-13/h2-9,11H,10,12H2,1H3,(H,21,22,23).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide has a molecular weight of 372.88 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 42353300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).