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

C15H26Cl2N4O2S — CID 119607011

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)Cc1csc(N2CCCC2=O)n1.Cl.Cl
InChIInChI=1S/C15H24N4O2S.2ClH/c1-10(2)15(3,9-16)18-12(20)7-11-8-22-14(17-11)19-6-4-5-13(19)21;;/h8,10H,4-7,9,16H2,1-3H3,(H,18,20);2*1H
InChIKeyNUYOYYDZCIAZAH-UHFFFAOYSA-N
MW397.37 g/mol
LogP2.15
Rot. Bonds6

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

N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 119607011) has the molecular formula C15H26Cl2N4O2S and a molecular weight of 397.37 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
PubChem CID119607011
Molecular FormulaC15H26Cl2N4O2S
Molecular Weight397.37 g/mol
Exact Mass396.12
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)Cc1csc(N2CCCC2=O)n1.Cl.Cl
InChIInChI=1S/C15H24N4O2S.2ClH/c1-10(2)15(3,9-16)18-12(20)7-11-8-22-14(17-11)19-6-4-5-13(19)21;;/h8,10H,4-7,9,16H2,1-3H3,(H,18,20);2*1H
InChIKeyNUYOYYDZCIAZAH-UHFFFAOYSA-N
XLogP2.15
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
N-(1-amino-4-methylpentan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 119586884
N-[(2S)-1-methoxypropan-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 29354926
N-[2-(methylamino)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 120831687
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119609012
N-(1-aminohexan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 119666520
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9224963
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119609013
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
1-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide
CID 87025334
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 9322230

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 119607011) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is CC(C)C(C)(CN)NC(=O)Cc1csc(N2CCCC2=O)n1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The InChIKey is NUYOYYDZCIAZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S.2ClH/c1-10(2)15(3,9-16)18-12(20)7-11-8-22-14(17-11)19-6-4-5-13(19)21;;/h8,10H,4-7,9,16H2,1-3H3,(H,18,20);2*1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 397.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119607011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).