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

C10H17N3O2S — CID 79378500

IUPAC2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1csc(CN)n1
InChIInChI=1S/C10H17N3O2S/c1-10(2,15)6-13(3)9(14)7-5-16-8(4-11)12-7/h5,15H,4,6,11H2,1-3H3
InChIKeyQONGRPYSDAQYKX-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.44
Rot. Bonds4

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

2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 79378500) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID79378500
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1csc(CN)n1
InChIInChI=1S/C10H17N3O2S/c1-10(2,15)6-13(3)9(14)7-5-16-8(4-11)12-7/h5,15H,4,6,11H2,1-3H3
InChIKeyQONGRPYSDAQYKX-UHFFFAOYSA-N
XLogP0.44
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66377451
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
2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79290954
2-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119681703
2-[[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 79376567
methyl 4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-methylamino]butanoate
CID 66377077
2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
CID 115739589
2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66377464
2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377067
2-(aminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119672604
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66377068

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 79378500) is 2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide is CN(CC(C)(C)O)C(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is QONGRPYSDAQYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(2,15)6-13(3)9(14)7-5-16-8(4-11)12-7/h5,15H,4,6,11H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 79378500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).