2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide

C11H18N4O2S — CID 66376879

IUPAC2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1csc(CN)n1
InChIInChI=1S/C11H18N4O2S/c1-2-3-4-15(6-9(13)16)11(17)8-7-18-10(5-12)14-8/h7H,2-6,12H2,1H3,(H2,13,16)
InChIKeyDFTRHPAITCWGIS-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.33
Rot. Bonds7

About 2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide (PubChem CID 66376879) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide
PubChem CID66376879
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1csc(CN)n1
InChIInChI=1S/C11H18N4O2S/c1-2-3-4-15(6-9(13)16)11(17)8-7-18-10(5-12)14-8/h7H,2-6,12H2,1H3,(H2,13,16)
InChIKeyDFTRHPAITCWGIS-UHFFFAOYSA-N
XLogP0.33
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-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-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 102992909
2-(aminomethyl)-N-butyl-N-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119769463
2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-ethylamino]acetic acid
CID 66377881
2-(aminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119672604
N-(2-amino-2-oxoethyl)-N-butyl-6-chloropyrazine-2-carboxamide
CID 106551596
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 79470567
2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 119783818
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119727919
2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119783817
2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 66379063
2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazole-4-carboxamide
CID 79858892
methyl 4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-methylamino]butanoate
CID 66377077

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide (CID 66376879) is 2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide is CCCCN(CC(N)=O)C(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide?
The InChIKey is DFTRHPAITCWGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-2-3-4-15(6-9(13)16)11(17)8-7-18-10(5-12)14-8/h7H,2-6,12H2,1H3,(H2,13,16).
What are the key properties of 2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66376879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).