N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide

C18H16N2O2S — CID 37035111

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ncc(Cc3ccccc3)s2)c1
InChIInChI=1S/C18H16N2O2S/c1-22-15-9-5-8-14(11-15)17(21)20-18-19-12-16(23-18)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,19,20,21)
InChIKeyRKWZGOPPKRNZIC-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.99
Rot. Bonds5

About N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide

N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide (PubChem CID 37035111) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
PubChem CID37035111
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ncc(Cc3ccccc3)s2)c1
InChIInChI=1S/C18H16N2O2S/c1-22-15-9-5-8-14(11-15)17(21)20-18-19-12-16(23-18)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,19,20,21)
InChIKeyRKWZGOPPKRNZIC-UHFFFAOYSA-N
XLogP3.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 52896563
N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 18836083
methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55873263
N-(5-benzyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 723009
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651563
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 86920266
6-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 45267552
N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4270963
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 42353300
N-(5-benzyl-1,3-thiazol-2-yl)-3-(pyrazol-1-ylmethyl)benzamide
CID 46971236
3-methoxy-N-(5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 167856541
3-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 76907447

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide (CID 37035111) is N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2ncc(Cc3ccccc3)s2)c1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide?
The InChIKey is RKWZGOPPKRNZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-22-15-9-5-8-14(11-15)17(21)20-18-19-12-16(23-18)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,19,20,21).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide?
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide has a molecular weight of 324.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 37035111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).