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

C15H29Cl2N3OS — CID 119609012

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)Cc1csc(C(C)(C)C)n1.Cl.Cl
InChIInChI=1S/C15H27N3OS.2ClH/c1-10(2)15(6,9-16)18-12(19)7-11-8-20-13(17-11)14(3,4)5;;/h8,10H,7,9,16H2,1-6H3,(H,18,19);2*1H
InChIKeyBEFZMJKFVFFWMV-UHFFFAOYSA-N
MW370.39 g/mol
LogP3.32
Rot. Bonds5

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

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride (PubChem CID 119609012) has the molecular formula C15H29Cl2N3OS and a molecular weight of 370.39 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
PubChem CID119609012
Molecular FormulaC15H29Cl2N3OS
Molecular Weight370.39 g/mol
Exact Mass369.14
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)Cc1csc(C(C)(C)C)n1.Cl.Cl
InChIInChI=1S/C15H27N3OS.2ClH/c1-10(2)15(6,9-16)18-12(19)7-11-8-20-13(17-11)14(3,4)5;;/h8,10H,7,9,16H2,1-6H3,(H,18,19);2*1H
InChIKeyBEFZMJKFVFFWMV-UHFFFAOYSA-N
XLogP3.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119609013
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119525132
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 119606699
N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119606563
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 119605524
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119607540
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119607011
N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119499665
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119608519
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119608769
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 119609111
2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224216

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride (CID 119609012) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride is CC(C)C(C)(CN)NC(=O)Cc1csc(C(C)(C)C)n1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The InChIKey is BEFZMJKFVFFWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS.2ClH/c1-10(2)15(6,9-16)18-12(19)7-11-8-20-13(17-11)14(3,4)5;;/h8,10H,7,9,16H2,1-6H3,(H,18,19);2*1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride has a molecular weight of 370.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119609012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).