2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C13H12N4O2S — CID 62793420

IUPAC2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C13H12N4O2S/c1-8-11(20-13(15)16-8)12(18)17-9-3-2-4-10(7-9)19-6-5-14/h2-4,7H,6H2,1H3,(H2,15,16)(H,17,18)
InChIKeyJTSCURAOQQIDKF-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.19
Rot. Bonds4

About 2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 62793420) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID62793420
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C13H12N4O2S/c1-8-11(20-13(15)16-8)12(18)17-9-3-2-4-10(7-9)19-6-5-14/h2-4,7H,6H2,1H3,(H2,15,16)(H,17,18)
InChIKeyJTSCURAOQQIDKF-UHFFFAOYSA-N
XLogP2.19
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[3-(cyanomethoxy)phenyl]-4-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

N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
2-amino-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 62794262
N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61276278
3-amino-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43708780
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
CID 43369137
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369603
2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62793426
N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281343

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 62793420) is 2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)Nc1cccc(OCC#N)c1.
What is the InChIKey of 2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JTSCURAOQQIDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-8-11(20-13(15)16-8)12(18)17-9-3-2-4-10(7-9)19-6-5-14/h2-4,7H,6H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62793420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).