2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide

C10H15N3OS — CID 115739589

IUPAC2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(CN)n1)C1CCC1
InChIInChI=1S/C10H15N3OS/c1-13(7-3-2-4-7)10(14)8-6-15-9(5-11)12-8/h6-7H,2-5,11H2,1H3
InChIKeyNJGKJGIFJWTYEV-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.23
Rot. Bonds3

About 2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 115739589) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID115739589
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(CN)n1)C1CCC1
InChIInChI=1S/C10H15N3OS/c1-13(7-3-2-4-7)10(14)8-6-15-9(5-11)12-8/h6-7H,2-5,11H2,1H3
InChIKeyNJGKJGIFJWTYEV-UHFFFAOYSA-N
XLogP1.23
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 66376837
2-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 119817004
2-(aminomethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazole-4-carboxamide
CID 119787293
2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 66390398
2-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66376261
2-benzyl-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110437086
2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66378238
2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 66379063
2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79378500
2-(aminomethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66376521
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone
CID 116585162
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide
CID 100645896

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide (CID 115739589) is 2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide is CN(C(=O)c1csc(CN)n1)C1CCC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is NJGKJGIFJWTYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-13(7-3-2-4-7)10(14)8-6-15-9(5-11)12-8/h6-7H,2-5,11H2,1H3.
What are the key properties of 2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 115739589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).