3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide

C18H17N3O2S — CID 89145903

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3csc(N)n3)c2)cc1C
InChIInChI=1S/C18H17N3O2S/c1-11-8-14(6-7-16(11)23-2)20-17(22)13-5-3-4-12(9-13)15-10-24-18(19)21-15/h3-10H,1-2H3,(H2,19,21)(H,20,22)
InChIKeySIYPDSMGCHJPLZ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.96
Rot. Bonds4

About 3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide

3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide (PubChem CID 89145903) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide
PubChem CID89145903
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3csc(N)n3)c2)cc1C
InChIInChI=1S/C18H17N3O2S/c1-11-8-14(6-7-16(11)23-2)20-17(22)13-5-3-4-12(9-13)15-10-24-18(19)21-15/h3-10H,1-2H3,(H2,19,21)(H,20,22)
InChIKeySIYPDSMGCHJPLZ-UHFFFAOYSA-N
XLogP3.96
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide (CID 89145903) is 3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide is COc1ccc(NC(=O)c2cccc(-c3csc(N)n3)c2)cc1C.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide?
The InChIKey is SIYPDSMGCHJPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-11-8-14(6-7-16(11)23-2)20-17(22)13-5-3-4-12(9-13)15-10-24-18(19)21-15/h3-10H,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide?
3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide has a molecular weight of 339.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide is sourced from PubChem (CID 89145903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).