N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide

C7H9F2N3O2S — CID 107482500

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
SMILESO=C(c1cnns1)N(CCO)CC(F)F
InChIInChI=1S/C7H9F2N3O2S/c8-6(9)4-12(1-2-13)7(14)5-3-10-11-15-5/h3,6,13H,1-2,4H2
InChIKeyURILMJBDUFFTGE-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.24
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide (PubChem CID 107482500) has the molecular formula C7H9F2N3O2S and a molecular weight of 237.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
PubChem CID107482500
Molecular FormulaC7H9F2N3O2S
Molecular Weight237.23 g/mol
Exact Mass237.04
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
SMILESO=C(c1cnns1)N(CCO)CC(F)F
InChIInChI=1S/C7H9F2N3O2S/c8-6(9)4-12(1-2-13)7(14)5-3-10-11-15-5/h3,6,13H,1-2,4H2
InChIKeyURILMJBDUFFTGE-UHFFFAOYSA-N
XLogP0.24
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide (CID 107482500) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide is O=C(c1cnns1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
The InChIKey is URILMJBDUFFTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2S/c8-6(9)4-12(1-2-13)7(14)5-3-10-11-15-5/h3,6,13H,1-2,4H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide has a molecular weight of 237.23 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 107482500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).