N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C11H11N3O2S — CID 63024254

IUPACN-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cscn2)cc1N
InChIInChI=1S/C11H11N3O2S/c1-16-10-3-2-7(4-8(10)12)14-11(15)9-5-17-6-13-9/h2-6H,12H2,1H3,(H,14,15)
InChIKeyQCIMGLSFVLPBSK-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.99
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 63024254) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID63024254
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cscn2)cc1N
InChIInChI=1S/C11H11N3O2S/c1-16-10-3-2-7(4-8(10)12)14-11(15)9-5-17-6-13-9/h2-6H,12H2,1H3,(H,14,15)
InChIKeyQCIMGLSFVLPBSK-UHFFFAOYSA-N
XLogP1.99
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 62047199
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
N-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 170986417
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385
N-(3-amino-4-methoxyphenyl)-5-hydroxypyridine-3-carboxamide
CID 63851714
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
dimethyl 5-(1,3-thiazole-4-carbonylamino)benzene-1,3-dicarboxylate
CID 84554958
4-amino-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 62152522
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 63024254) is N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2cscn2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QCIMGLSFVLPBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-16-10-3-2-7(4-8(10)12)14-11(15)9-5-17-6-13-9/h2-6H,12H2,1H3,(H,14,15).
What are the key properties of N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63024254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).