3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide

C13H20F2N2O2S — CID 75478220

IUPAC3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CSCN1C(=O)C1C(C)C1(F)F
InChIInChI=1S/C13H20F2N2O2S/c1-4-16(5-2)11(18)9-6-20-7-17(9)12(19)10-8(3)13(10,14)15/h8-10H,4-7H2,1-3H3
InChIKeyROSZUDBJBXFOGQ-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.66
Rot. Bonds4

About 3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide

3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 75478220) has the molecular formula C13H20F2N2O2S and a molecular weight of 306.38 g/mol. Its IUPAC name is 3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide
PubChem CID75478220
Molecular FormulaC13H20F2N2O2S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CSCN1C(=O)C1C(C)C1(F)F
InChIInChI=1S/C13H20F2N2O2S/c1-4-16(5-2)11(18)9-6-20-7-17(9)12(19)10-8(3)13(10,14)15/h8-10H,4-7H2,1-3H3
InChIKeyROSZUDBJBXFOGQ-UHFFFAOYSA-N
XLogP1.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide (CID 75478220) is 3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide is CCN(CC)C(=O)C1CSCN1C(=O)C1C(C)C1(F)F.
What is the InChIKey of 3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ROSZUDBJBXFOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2S/c1-4-16(5-2)11(18)9-6-20-7-17(9)12(19)10-8(3)13(10,14)15/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide?
3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-3-methylcyclopropanecarbonyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 75478220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).