N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C9H14F2N2O3S — CID 113462684

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NCC(F)(F)CO
InChIInChI=1S/C9H14F2N2O3S/c10-9(11,6-14)5-12-7(15)1-2-13-3-4-17-8(13)16/h14H,1-6H2,(H,12,15)
InChIKeyBGMPDCMSHUJSRT-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.29
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 113462684) has the molecular formula C9H14F2N2O3S and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID113462684
Molecular FormulaC9H14F2N2O3S
Molecular Weight268.28 g/mol
Exact Mass268.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NCC(F)(F)CO
InChIInChI=1S/C9H14F2N2O3S/c10-9(11,6-14)5-12-7(15)1-2-13-3-4-17-8(13)16/h14H,1-6H2,(H,12,15)
InChIKeyBGMPDCMSHUJSRT-UHFFFAOYSA-N
XLogP0.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 113462684) is N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is BGMPDCMSHUJSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3S/c10-9(11,6-14)5-12-7(15)1-2-13-3-4-17-8(13)16/h14H,1-6H2,(H,12,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 268.28 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 113462684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).