N-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide

C18H15N3O3S — CID 90144326

IUPACN-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cscn3)cc2)c1
InChIInChI=1S/C18H15N3O3S/c1-24-15-4-2-3-12(9-15)17(22)20-13-5-7-14(8-6-13)21-18(23)16-10-25-11-19-16/h2-11H,1H3,(H,20,22)(H,21,23)
InChIKeyDJSZAAIHNPTQRO-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.66
Rot. Bonds5

About N-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide

N-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 90144326) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID90144326
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cscn3)cc2)c1
InChIInChI=1S/C18H15N3O3S/c1-24-15-4-2-3-12(9-15)17(22)20-13-5-7-14(8-6-13)21-18(23)16-10-25-11-19-16/h2-11H,1H3,(H,20,22)(H,21,23)
InChIKeyDJSZAAIHNPTQRO-UHFFFAOYSA-N
XLogP3.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide (CID 90144326) is N-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide is COc1cccc(C(=O)Nc2ccc(NC(=O)c3cscn3)cc2)c1.
What is the InChIKey of N-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DJSZAAIHNPTQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-24-15-4-2-3-12(9-15)17(22)20-13-5-7-14(8-6-13)21-18(23)16-10-25-11-19-16/h2-11H,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide?
N-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90144326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).