2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

C18H17N3O2S — CID 2701314

IUPAC2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1Nc1nc(C)c(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C18H17N3O2S/c1-12-16(17(22)20-13-8-4-3-5-9-13)24-18(19-12)21-14-10-6-7-11-15(14)23-2/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyVHDVQZLGAWEMGP-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.46
Rot. Bonds5

About 2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 2701314) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID2701314
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1Nc1nc(C)c(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C18H17N3O2S/c1-12-16(17(22)20-13-8-4-3-5-9-13)24-18(19-12)21-14-10-6-7-11-15(14)23-2/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyVHDVQZLGAWEMGP-UHFFFAOYSA-N
XLogP4.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 2701314) is 2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is COc1ccccc1Nc1nc(C)c(C(=O)Nc2ccccc2)s1.
What is the InChIKey of 2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is VHDVQZLGAWEMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-16(17(22)20-13-8-4-3-5-9-13)24-18(19-12)21-14-10-6-7-11-15(14)23-2/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 2701314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).