N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide

C20H17N3O3S — CID 86920255

IUPACN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1
InChIInChI=1S/C20H17N3O3S/c1-25-15-7-8-18(26-2)17(10-15)19(24)23-20-22-12-16(27-20)9-13-3-5-14(11-21)6-4-13/h3-8,10,12H,9H2,1-2H3,(H,22,23,24)
InChIKeyVZXADHPTKPMCFL-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.88
Rot. Bonds6

About N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide (PubChem CID 86920255) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
PubChem CID86920255
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1
InChIInChI=1S/C20H17N3O3S/c1-25-15-7-8-18(26-2)17(10-15)19(24)23-20-22-12-16(27-20)9-13-3-5-14(11-21)6-4-13/h3-8,10,12H,9H2,1-2H3,(H,22,23,24)
InChIKeyVZXADHPTKPMCFL-UHFFFAOYSA-N
XLogP3.88
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78843727
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide
CID 55438043
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 86920266
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 86920236
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide
CID 78886727
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 52896563
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-4-[ethyl(methyl)amino]benzamide
CID 86850729
N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide
CID 52648387
4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]benzonitrile
CID 7627302
(E)-2-cyano-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 1143604
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 155153155

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide (CID 86920255) is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1.
What is the InChIKey of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide?
The InChIKey is VZXADHPTKPMCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-25-15-7-8-18(26-2)17(10-15)19(24)23-20-22-12-16(27-20)9-13-3-5-14(11-21)6-4-13/h3-8,10,12H,9H2,1-2H3,(H,22,23,24).
What are the key properties of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide?
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide has a molecular weight of 379.44 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 86920255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).