N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide

C13H13N3O3S — CID 62047199

IUPACN-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cscn1
InChIInChI=1S/C13H13N3O3S/c1-8(17)15-9-3-4-12(19-2)10(5-9)16-13(18)11-6-20-7-14-11/h3-7H,1-2H3,(H,15,17)(H,16,18)
InChIKeyXVYVWUYNSDLQAR-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.36
Rot. Bonds4

About N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 62047199) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID62047199
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cscn1
InChIInChI=1S/C13H13N3O3S/c1-8(17)15-9-3-4-12(19-2)10(5-9)16-13(18)11-6-20-7-14-11/h3-7H,1-2H3,(H,15,17)(H,16,18)
InChIKeyXVYVWUYNSDLQAR-UHFFFAOYSA-N
XLogP2.36
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 63024254
N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167268
N-(5-acetamido-2-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17417372
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16821159
N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120617186
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 60597278
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 42092835
N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 71852534
N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55143825
N-(5-acetamido-2-methoxyphenyl)-2,3-dichlorobenzamide
CID 17429613
4-(4-acetamidoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221861
N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948902

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 62047199) is N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1cscn1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XVYVWUYNSDLQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-8(17)15-9-3-4-12(19-2)10(5-9)16-13(18)11-6-20-7-14-11/h3-7H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62047199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).