N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide

C8H14F2N2O2S — CID 107479321

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(C1CSCN1)N(CCO)CC(F)F
InChIInChI=1S/C8H14F2N2O2S/c9-7(10)3-12(1-2-13)8(14)6-4-15-5-11-6/h6-7,11,13H,1-5H2
InChIKeyKBCGTXQGOHCZJW-UHFFFAOYSA-N
MW240.27 g/mol
LogP-0.27
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 107479321) has the molecular formula C8H14F2N2O2S and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID107479321
Molecular FormulaC8H14F2N2O2S
Molecular Weight240.27 g/mol
Exact Mass240.07
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(C1CSCN1)N(CCO)CC(F)F
InChIInChI=1S/C8H14F2N2O2S/c9-7(10)3-12(1-2-13)8(14)6-4-15-5-11-6/h6-7,11,13H,1-5H2
InChIKeyKBCGTXQGOHCZJW-UHFFFAOYSA-N
XLogP-0.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-hydroxyethyl)-4-(trifluoromethylsulfanyl)butanamide
CID 59253801
2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid
CID 162414677
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 54871664
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 54871732
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 54872029
N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 60944621
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 60946577
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 60952485
(2S)-2-amino-N-(2-hydroxyethyl)-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61165148
N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 61607919
N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 61608175
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide
CID 63827767

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide (CID 107479321) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide is O=C(C1CSCN1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is KBCGTXQGOHCZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2S/c9-7(10)3-12(1-2-13)8(14)6-4-15-5-11-6/h6-7,11,13H,1-5H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 240.27 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 107479321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).