N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

C18H25Cl2N3O3S — CID 119608519

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1.Cl.Cl
InChIInChI=1S/C18H23N3O3S.2ClH/c1-11(2)18(3,9-19)21-16(22)7-13-8-25-17(20-13)12-4-5-14-15(6-12)24-10-23-14;;/h4-6,8,11H,7,9-10,19H2,1-3H3,(H,21,22);2*1H
InChIKeyUNFCYDFJQPRGRZ-UHFFFAOYSA-N
MW434.39 g/mol
LogP3.41
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 119608519) has the molecular formula C18H25Cl2N3O3S and a molecular weight of 434.39 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
PubChem CID119608519
Molecular FormulaC18H25Cl2N3O3S
Molecular Weight434.39 g/mol
Exact Mass433.10
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1.Cl.Cl
InChIInChI=1S/C18H23N3O3S.2ClH/c1-11(2)18(3,9-19)21-16(22)7-13-8-25-17(20-13)12-4-5-14-15(6-12)24-10-23-14;;/h4-6,8,11H,7,9-10,19H2,1-3H3,(H,21,22);2*1H
InChIKeyUNFCYDFJQPRGRZ-UHFFFAOYSA-N
XLogP3.41
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119606927
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120826548
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119607540
N-(1-aminopropan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119584696
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119609012
N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119567957
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 43327447
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 75375495
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 96548679
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8776935
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119609013

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 119608519) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is CC(C)C(C)(CN)NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The InChIKey is UNFCYDFJQPRGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.2ClH/c1-11(2)18(3,9-19)21-16(22)7-13-8-25-17(20-13)12-4-5-14-15(6-12)24-10-23-14;;/h4-6,8,11H,7,9-10,19H2,1-3H3,(H,21,22);2*1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 434.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119608519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).