2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one

C14H24N4O2S — CID 120867809

IUPAC2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one
SMILESCNC(C)Cc1noc(C2CSCN2C(=O)C(C)(C)C)n1
InChIInChI=1S/C14H24N4O2S/c1-9(15-5)6-11-16-12(20-17-11)10-7-21-8-18(10)13(19)14(2,3)4/h9-10,15H,6-8H2,1-5H3
InChIKeyDGJGLYNIGGACOU-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.84
Rot. Bonds4

About 2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one

2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 120867809) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID120867809
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one
SMILESCNC(C)Cc1noc(C2CSCN2C(=O)C(C)(C)C)n1
InChIInChI=1S/C14H24N4O2S/c1-9(15-5)6-11-16-12(20-17-11)10-7-21-8-18(10)13(19)14(2,3)4/h9-10,15H,6-8H2,1-5H3
InChIKeyDGJGLYNIGGACOU-UHFFFAOYSA-N
XLogP1.84
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one (CID 120867809) is 2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one is CNC(C)Cc1noc(C2CSCN2C(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is DGJGLYNIGGACOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-9(15-5)6-11-16-12(20-17-11)10-7-21-8-18(10)13(19)14(2,3)4/h9-10,15H,6-8H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one?
2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 312.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 120867809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).