3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C18H13N3O2S — CID 7733305

IUPAC3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cccc(C#N)c3)n2)cc1
InChIInChI=1S/C18H13N3O2S/c1-23-15-7-5-13(6-8-15)16-11-24-18(20-16)21-17(22)14-4-2-3-12(9-14)10-19/h2-9,11H,1H3,(H,20,21,22)
InChIKeyGOQNWRCLDGRRMY-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.94
Rot. Bonds4

About 3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 7733305) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID7733305
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cccc(C#N)c3)n2)cc1
InChIInChI=1S/C18H13N3O2S/c1-23-15-7-5-13(6-8-15)16-11-24-18(20-16)21-17(22)14-4-2-3-12(9-14)10-19/h2-9,11H,1H3,(H,20,21,22)
InChIKeyGOQNWRCLDGRRMY-UHFFFAOYSA-N
XLogP3.94
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 19195208
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 9192775
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
CID 9050215
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4686613
3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide
CID 35847762
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 17417571
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 721661

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 7733305) is 3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2csc(NC(=O)c3cccc(C#N)c3)n2)cc1.
What is the InChIKey of 3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is GOQNWRCLDGRRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-23-15-7-5-13(6-8-15)16-11-24-18(20-16)21-17(22)14-4-2-3-12(9-14)10-19/h2-9,11H,1H3,(H,20,21,22).
What are the key properties of 3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 335.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 7733305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).