4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide

C11H17F2N3O2S — CID 107483246

IUPAC4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H17F2N3O2S/c1-11(2,3)9-8(19-15-14-9)10(18)16(4-5-17)6-7(12)13/h7,17H,4-6H2,1-3H3
InChIKeyKHGCTCRLKMWRBF-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.54
Rot. Bonds5

About 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide

4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide (PubChem CID 107483246) has the molecular formula C11H17F2N3O2S and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
PubChem CID107483246
Molecular FormulaC11H17F2N3O2S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC Name4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H17F2N3O2S/c1-11(2,3)9-8(19-15-14-9)10(18)16(4-5-17)6-7(12)13/h7,17H,4-6H2,1-3H3
InChIKeyKHGCTCRLKMWRBF-UHFFFAOYSA-N
XLogP1.54
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide (CID 107483246) is 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)N(CCO)CC(F)F.
What is the InChIKey of 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
The InChIKey is KHGCTCRLKMWRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2S/c1-11(2,3)9-8(19-15-14-9)10(18)16(4-5-17)6-7(12)13/h7,17H,4-6H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 107483246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).