N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

C16H32ClN3O2S — CID 119642899

IUPACN-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CSCN1C(=O)CC(C)(C)C.Cl
InChIInChI=1S/C16H31N3O2S.ClH/c1-6-16(17,7-2)10-18-14(21)12-9-22-11-19(12)13(20)8-15(3,4)5;/h12H,6-11,17H2,1-5H3,(H,18,21);1H
InChIKeyYGACIJGMIAJNEE-UHFFFAOYSA-N
MW365.97 g/mol
LogP2.38
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119642899) has the molecular formula C16H32ClN3O2S and a molecular weight of 365.97 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119642899
Molecular FormulaC16H32ClN3O2S
Molecular Weight365.97 g/mol
Exact Mass365.19
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CSCN1C(=O)CC(C)(C)C.Cl
InChIInChI=1S/C16H31N3O2S.ClH/c1-6-16(17,7-2)10-18-14(21)12-9-22-11-19(12)13(20)8-15(3,4)5;/h12H,6-11,17H2,1-5H3,(H,18,21);1H
InChIKeyYGACIJGMIAJNEE-UHFFFAOYSA-N
XLogP2.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.97
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 119642900
N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 119498502
(4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 95612592
3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120945640
N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 42749079
N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 119642205
(4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 95153320
(4S)-N-[(2S)-2-methyl-2-[[(4R)-3-propanoyl-1,3-thiazolidine-4-carbonyl]amino]butyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 96535321
(4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95327328
3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 42749081
3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120575293
ethyl 2-[4-[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]-2-oxoacetate
CID 146088892

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119642899) is N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)C1CSCN1C(=O)CC(C)(C)C.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is YGACIJGMIAJNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2S.ClH/c1-6-16(17,7-2)10-18-14(21)12-9-22-11-19(12)13(20)8-15(3,4)5;/h12H,6-11,17H2,1-5H3,(H,18,21);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 365.97 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119642899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).