N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide

C12H13N3OS — CID 65199836

IUPACN-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C)c(N)c2)cs1
InChIInChI=1S/C12H13N3OS/c1-7-3-4-9(5-10(7)13)15-12(16)11-6-17-8(2)14-11/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyOJOMRVXNINWELS-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.59
Rot. Bonds2

About N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide

N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 65199836) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID65199836
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C)c(N)c2)cs1
InChIInChI=1S/C12H13N3OS/c1-7-3-4-9(5-10(7)13)15-12(16)11-6-17-8(2)14-11/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyOJOMRVXNINWELS-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 82861418
2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 47445064
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-(3-amino-4-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644063
N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156908
2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110465342
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358
N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide
CID 62958589
2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide
CID 110465368
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 86883645

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 65199836) is N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(C)c(N)c2)cs1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is OJOMRVXNINWELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7-3-4-9(5-10(7)13)15-12(16)11-6-17-8(2)14-11/h3-6H,13H2,1-2H3,(H,15,16).
What are the key properties of N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65199836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).