2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide

C14H25N3O2S — CID 120638429

IUPAC2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide
SMILESCCC(CC)(CCO)CNC(=O)c1csc(CCN)n1
InChIInChI=1S/C14H25N3O2S/c1-3-14(4-2,6-8-18)10-16-13(19)11-9-20-12(17-11)5-7-15/h9,18H,3-8,10,15H2,1-2H3,(H,16,19)
InChIKeyOLFCRUTZXGUCAD-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.56
Rot. Bonds9

About 2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide (PubChem CID 120638429) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide
PubChem CID120638429
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide
SMILESCCC(CC)(CCO)CNC(=O)c1csc(CCN)n1
InChIInChI=1S/C14H25N3O2S/c1-3-14(4-2,6-8-18)10-16-13(19)11-9-20-12(17-11)5-7-15/h9,18H,3-8,10,15H2,1-2H3,(H,16,19)
InChIKeyOLFCRUTZXGUCAD-UHFFFAOYSA-N
XLogP1.56
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxy-4-azepanyl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 56903340
N-{2-[2-(Hydroxymethyl)piperidin-1-YL]ethyl}-2-methyl-1,3-thiazole-4-carboxamide
CID 72871563
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 86791490
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 91843575
2-(1-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 106176872
2-(2-aminoethyl)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 106177003
2,2-Dimethyl-4-[[2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 121951154
2-tert-butyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-4-carboxamide
CID 132303168
2-(1-hydroxy-2-methylpropyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 71729630
N-(cyclobutylmethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 71882939
N-(4-hydroxybutyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 20060226
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 20060271

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide (CID 120638429) is 2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide is CCC(CC)(CCO)CNC(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OLFCRUTZXGUCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-3-14(4-2,6-8-18)10-16-13(19)11-9-20-12(17-11)5-7-15/h9,18H,3-8,10,15H2,1-2H3,(H,16,19).
What are the key properties of 2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 1.56, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120638429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).