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

C16H31N3O2S — CID 119642900

IUPACN-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CSCN1C(=O)CC(C)(C)C
InChIInChI=1S/C16H31N3O2S/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)
InChIKeyIJYHLQWYWCLSGO-UHFFFAOYSA-N
MW329.51 g/mol
LogP1.96
Rot. Bonds6

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

N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 119642900) has the molecular formula C16H31N3O2S and a molecular weight of 329.51 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID119642900
Molecular FormulaC16H31N3O2S
Molecular Weight329.51 g/mol
Exact Mass329.21
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CSCN1C(=O)CC(C)(C)C
InChIInChI=1S/C16H31N3O2S/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)
InChIKeyIJYHLQWYWCLSGO-UHFFFAOYSA-N
XLogP1.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide (CID 119642900) is N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide is CCC(N)(CC)CNC(=O)C1CSCN1C(=O)CC(C)(C)C.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is IJYHLQWYWCLSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2S/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).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 329.51 g/mol, XLogP of 1.96, 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 is sourced from PubChem (CID 119642900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).