N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C8H12F2N4O2S — CID 107486052

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(CCO)CC(F)F)s1
InChIInChI=1S/C8H12F2N4O2S/c1-11-8-13-12-6(17-8)7(16)14(2-3-15)4-5(9)10/h5,15H,2-4H2,1H3,(H,11,13)
InChIKeyVFAKOSIWXKEREE-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.28
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 107486052) has the molecular formula C8H12F2N4O2S and a molecular weight of 266.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID107486052
Molecular FormulaC8H12F2N4O2S
Molecular Weight266.27 g/mol
Exact Mass266.06
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(CCO)CC(F)F)s1
InChIInChI=1S/C8H12F2N4O2S/c1-11-8-13-12-6(17-8)7(16)14(2-3-15)4-5(9)10/h5,15H,2-4H2,1H3,(H,11,13)
InChIKeyVFAKOSIWXKEREE-UHFFFAOYSA-N
XLogP0.28
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 107486052) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)N(CCO)CC(F)F)s1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is VFAKOSIWXKEREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O2S/c1-11-8-13-12-6(17-8)7(16)14(2-3-15)4-5(9)10/h5,15H,2-4H2,1H3,(H,11,13).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 266.27 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 107486052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).