N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride

C13H25Cl2N3OS — CID 119499665

IUPACN-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
SMILESCC(N)CCNC(=O)Cc1csc(C(C)(C)C)n1.Cl.Cl
InChIInChI=1S/C13H23N3OS.2ClH/c1-9(14)5-6-15-11(17)7-10-8-18-12(16-10)13(2,3)4;;/h8-9H,5-7,14H2,1-4H3,(H,15,17);2*1H
InChIKeyYGJLTDWESLICAS-UHFFFAOYSA-N
MW342.34 g/mol
LogP2.68
Rot. Bonds5

About N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride

N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride (PubChem CID 119499665) has the molecular formula C13H25Cl2N3OS and a molecular weight of 342.34 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
PubChem CID119499665
Molecular FormulaC13H25Cl2N3OS
Molecular Weight342.34 g/mol
Exact Mass341.11
IUPAC NameN-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
SMILESCC(N)CCNC(=O)Cc1csc(C(C)(C)C)n1.Cl.Cl
InChIInChI=1S/C13H23N3OS.2ClH/c1-9(14)5-6-15-11(17)7-10-8-18-12(16-10)13(2,3)4;;/h8-9H,5-7,14H2,1-4H3,(H,15,17);2*1H
InChIKeyYGJLTDWESLICAS-UHFFFAOYSA-N
XLogP2.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111471780
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119177607
5-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 119235347
N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499585
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119609012
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119609013
N-(3-aminobutyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499385
4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888399
(2S)-2-[[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695778
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119394536
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119525132
N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119422829

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride (CID 119499665) is N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride is CC(N)CCNC(=O)Cc1csc(C(C)(C)C)n1.Cl.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The InChIKey is YGJLTDWESLICAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS.2ClH/c1-9(14)5-6-15-11(17)7-10-8-18-12(16-10)13(2,3)4;;/h8-9H,5-7,14H2,1-4H3,(H,15,17);2*1H.
What are the key properties of N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride has a molecular weight of 342.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119499665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).