N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide

C14H16F2N2O2S — CID 107482480

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESO=C(C1CSC(c2ccccc2)=N1)N(CCO)CC(F)F
InChIInChI=1S/C14H16F2N2O2S/c15-12(16)8-18(6-7-19)14(20)11-9-21-13(17-11)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2
InChIKeyNQUOXBOBZAQANW-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.63
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 107482480) has the molecular formula C14H16F2N2O2S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID107482480
Molecular FormulaC14H16F2N2O2S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESO=C(C1CSC(c2ccccc2)=N1)N(CCO)CC(F)F
InChIInChI=1S/C14H16F2N2O2S/c15-12(16)8-18(6-7-19)14(20)11-9-21-13(17-11)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2
InChIKeyNQUOXBOBZAQANW-UHFFFAOYSA-N
XLogP1.63
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 107482480) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide is O=C(C1CSC(c2ccccc2)=N1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is NQUOXBOBZAQANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2S/c15-12(16)8-18(6-7-19)14(20)11-9-21-13(17-11)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 107482480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).