4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C19H19N3OS — CID 145489022

IUPAC4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(CNc3ccccc3C)cc2)n1
InChIInChI=1S/C19H19N3OS/c1-13-5-3-4-6-17(13)20-11-15-7-9-16(10-8-15)18(23)22-19-21-14(2)12-24-19/h3-10,12,20H,11H2,1-2H3,(H,21,22,23)
InChIKeyDHPPBCAZAYICNH-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.62
Rot. Bonds5

About 4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 145489022) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID145489022
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(CNc3ccccc3C)cc2)n1
InChIInChI=1S/C19H19N3OS/c1-13-5-3-4-6-17(13)20-11-15-7-9-16(10-8-15)18(23)22-19-21-14(2)12-24-19/h3-10,12,20H,11H2,1-2H3,(H,21,22,23)
InChIKeyDHPPBCAZAYICNH-UHFFFAOYSA-N
XLogP4.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 145489022) is 4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(CNc3ccccc3C)cc2)n1.
What is the InChIKey of 4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is DHPPBCAZAYICNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-5-3-4-6-17(13)20-11-15-7-9-16(10-8-15)18(23)22-19-21-14(2)12-24-19/h3-10,12,20H,11H2,1-2H3,(H,21,22,23).
What are the key properties of 4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 337.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 145489022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).