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

C8H11F2N3O2S — CID 104858059

IUPACN-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C8H11F2N3O2S/c1-2-5-6(16-13-12-5)7(15)11-3-8(9,10)4-14/h14H,2-4H2,1H3,(H,11,15)
InChIKeyOIEMXUYTUJWTLG-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.46
Rot. Bonds5

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

N-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 104858059) has the molecular formula C8H11F2N3O2S and a molecular weight of 251.26 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID104858059
Molecular FormulaC8H11F2N3O2S
Molecular Weight251.26 g/mol
Exact Mass251.05
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C8H11F2N3O2S/c1-2-5-6(16-13-12-5)7(15)11-3-8(9,10)4-14/h14H,2-4H2,1H3,(H,11,15)
InChIKeyOIEMXUYTUJWTLG-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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Related Compounds

4-ethyl-N-[3-(2-methylpropoxy)propyl]thiadiazole-5-carboxamide
CID 45796421
4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 51073960
4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide
CID 86807030
4-propyl-N-(2,2,2-trifluoroethyl)-1,2,3-thiadiazole-5-carboxamide
CID 45497132
4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiadiazole-5-carboxamide
CID 45825248
2-[(4-Ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990498
N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide
CID 103015388
4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 103187265
N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide
CID 103770476
4-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 105648536
4-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 105648620
N-(3,3-difluoro-2-hydroxypropyl)-4-propylthiadiazole-5-carboxamide
CID 105649059

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide (CID 104858059) is N-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is OIEMXUYTUJWTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2S/c1-2-5-6(16-13-12-5)7(15)11-3-8(9,10)4-14/h14H,2-4H2,1H3,(H,11,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide?
N-(2,2-difluoro-3-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-(2,2-difluoro-3-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 104858059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).