N'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide

C16H26N4O4S — CID 21156947

IUPACN'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide
SMILESCOCCN(C(=O)CCC(=O)Nc1nccs1)C(C(N)=O)C(C)(C)C
InChIInChI=1S/C16H26N4O4S/c1-16(2,3)13(14(17)23)20(8-9-24-4)12(22)6-5-11(21)19-15-18-7-10-25-15/h7,10,13H,5-6,8-9H2,1-4H3,(H2,17,23)(H,18,19,21)
InChIKeyFLZLFXACPZBUAG-UHFFFAOYSA-N
MW370.48 g/mol
LogP1.24
Rot. Bonds9

About N'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide

N'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 21156947) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is N'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID21156947
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC NameN'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide
SMILESCOCCN(C(=O)CCC(=O)Nc1nccs1)C(C(N)=O)C(C)(C)C
InChIInChI=1S/C16H26N4O4S/c1-16(2,3)13(14(17)23)20(8-9-24-4)12(22)6-5-11(21)19-15-18-7-10-25-15/h7,10,13H,5-6,8-9H2,1-4H3,(H2,17,23)(H,18,19,21)
InChIKeyFLZLFXACPZBUAG-UHFFFAOYSA-N
XLogP1.24
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide (CID 21156947) is N'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide is COCCN(C(=O)CCC(=O)Nc1nccs1)C(C(N)=O)C(C)(C)C.
What is the InChIKey of N'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is FLZLFXACPZBUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-16(2,3)13(14(17)23)20(8-9-24-4)12(22)6-5-11(21)19-15-18-7-10-25-15/h7,10,13H,5-6,8-9H2,1-4H3,(H2,17,23)(H,18,19,21).
What are the key properties of N'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide?
N'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 370.48 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 21156947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).