N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide

C12H13N3OS — CID 55144453

IUPACN-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccc(N)cc1)C(=O)c1cscn1
InChIInChI=1S/C12H13N3OS/c1-15(12(16)11-7-17-8-14-11)6-9-2-4-10(13)5-3-9/h2-5,7-8H,6,13H2,1H3
InChIKeyUZPRDOKRROZHDN-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.00
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide

N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 55144453) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID55144453
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccc(N)cc1)C(=O)c1cscn1
InChIInChI=1S/C12H13N3OS/c1-15(12(16)11-7-17-8-14-11)6-9-2-4-10(13)5-3-9/h2-5,7-8H,6,13H2,1H3
InChIKeyUZPRDOKRROZHDN-UHFFFAOYSA-N
XLogP2.00
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63049252
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143239
N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63050087
N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63048529
5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81317186
N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 63049772
N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049964
5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316642
5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81310441
4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 55041871
N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide
CID 65216471
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143623

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 55144453) is N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(Cc1ccc(N)cc1)C(=O)c1cscn1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is UZPRDOKRROZHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-15(12(16)11-7-17-8-14-11)6-9-2-4-10(13)5-3-9/h2-5,7-8H,6,13H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55144453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).