2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide

C11H15N5OS — CID 114130714

IUPAC2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cnn(CCNC(=O)c2csc(CN)n2)c1
InChIInChI=1S/C11H15N5OS/c1-8-5-14-16(6-8)3-2-13-11(17)9-7-18-10(4-12)15-9/h5-7H,2-4,12H2,1H3,(H,13,17)
InChIKeyOKCGDDMXUBQVIZ-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.54
Rot. Bonds5

About 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 114130714) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID114130714
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cnn(CCNC(=O)c2csc(CN)n2)c1
InChIInChI=1S/C11H15N5OS/c1-8-5-14-16(6-8)3-2-13-11(17)9-7-18-10(4-12)15-9/h5-7H,2-4,12H2,1H3,(H,13,17)
InChIKeyOKCGDDMXUBQVIZ-UHFFFAOYSA-N
XLogP0.54
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-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-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 86968215
1-[2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]triazole-4-carboxylic acid
CID 107500024
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 66376914
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide
CID 114131593
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 66377447
2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 103006505
2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 83109262
2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388753
2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119763190
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66377889

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 114130714) is 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1cnn(CCNC(=O)c2csc(CN)n2)c1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OKCGDDMXUBQVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-8-5-14-16(6-8)3-2-13-11(17)9-7-18-10(4-12)15-9/h5-7H,2-4,12H2,1H3,(H,13,17).
What are the key properties of 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 114130714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).