N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide

C8H11F2N3O2S — CID 103770476

IUPACN-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(O)C(F)F
InChIInChI=1S/C8H11F2N3O2S/c1-2-4-6(16-13-12-4)8(15)11-3-5(14)7(9)10/h5,7,14H,2-3H2,1H3,(H,11,15)
InChIKeyKQQSCXDWHZYVOD-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.46
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 103770476) has the molecular formula C8H11F2N3O2S and a molecular weight of 251.26 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID103770476
Molecular FormulaC8H11F2N3O2S
Molecular Weight251.26 g/mol
Exact Mass251.05
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(O)C(F)F
InChIInChI=1S/C8H11F2N3O2S/c1-2-4-6(16-13-12-4)8(15)11-3-5(14)7(9)10/h5,7,14H,2-3H2,1H3,(H,11,15)
InChIKeyKQQSCXDWHZYVOD-UHFFFAOYSA-N
XLogP0.46
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide (CID 103770476) is N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is KQQSCXDWHZYVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2S/c1-2-4-6(16-13-12-4)8(15)11-3-5(14)7(9)10/h5,7,14H,2-3H2,1H3,(H,11,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 103770476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).