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

C21H19N3O3S — CID 78843727

IUPACN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1
InChIInChI=1S/C21H19N3O3S/c1-26-17-7-8-19(27-2)16(10-17)11-20(25)24-21-23-13-18(28-21)9-14-3-5-15(12-22)6-4-14/h3-8,10,13H,9,11H2,1-2H3,(H,23,24,25)
InChIKeySHJMAZANELBOKM-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.80
Rot. Bonds7

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

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide (PubChem CID 78843727) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide
PubChem CID78843727
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1
InChIInChI=1S/C21H19N3O3S/c1-26-17-7-8-19(27-2)16(10-17)11-20(25)24-21-23-13-18(28-21)9-14-3-5-15(12-22)6-4-14/h3-8,10,13H,9,11H2,1-2H3,(H,23,24,25)
InChIKeySHJMAZANELBOKM-UHFFFAOYSA-N
XLogP3.80
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 86920255
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617
2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 46535725
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-nitrophenoxy)propanamide
CID 78883724
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7534803
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]-3-(1-methylpyrazol-4-yl)propanamide
CID 78904432
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869353
2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23799625
N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 18836083
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide
CID 51111804

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide (CID 78843727) is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1.
What is the InChIKey of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is SHJMAZANELBOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-26-17-7-8-19(27-2)16(10-17)11-20(25)24-21-23-13-18(28-21)9-14-3-5-15(12-22)6-4-14/h3-8,10,13H,9,11H2,1-2H3,(H,23,24,25).
What are the key properties of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide?
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 393.47 g/mol, XLogP of 3.80, 7 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-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 78843727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).