N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide

C14H17N3OS — CID 103805568

IUPACN-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1cnc(C)s1
InChIInChI=1S/C14H17N3OS/c1-3-15-8-11-6-4-5-7-12(11)17-14(18)13-9-16-10(2)19-13/h4-7,9,15H,3,8H2,1-2H3,(H,17,18)
InChIKeyOOTNKRUXECRCIS-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide

N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 103805568) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID103805568
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1cnc(C)s1
InChIInChI=1S/C14H17N3OS/c1-3-15-8-11-6-4-5-7-12(11)17-14(18)13-9-16-10(2)19-13/h4-7,9,15H,3,8H2,1-2H3,(H,17,18)
InChIKeyOOTNKRUXECRCIS-UHFFFAOYSA-N
XLogP2.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110856576
2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide
CID 141271026
N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110864602
N-[2-(ethylaminomethyl)phenyl]-3-methylpyridine-2-carboxamide
CID 62339323
N-[2-(ethylaminomethyl)phenyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 119439963
N-[2-(ethylaminomethyl)phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119439894
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
N-[2-(ethylaminomethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119440726
N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 63654524
5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 63723902
N-[2-(azepan-1-yl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 71881060
N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide
CID 43601345

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 103805568) is N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide is CCNCc1ccccc1NC(=O)c1cnc(C)s1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OOTNKRUXECRCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-15-8-11-6-4-5-7-12(11)17-14(18)13-9-16-10(2)19-13/h4-7,9,15H,3,8H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103805568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).