4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide

C8H10F3N3O2S — CID 82722345

IUPAC4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2S/c1-2-3-5-6(17-14-12-5)7(15)13-16-4-8(9,10)11/h2-4H2,1H3,(H,13,15)
InChIKeyXMAKFZIBBMERLK-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.71
Rot. Bonds5

About 4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide

4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide (PubChem CID 82722345) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is 4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
PubChem CID82722345
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2S/c1-2-3-5-6(17-14-12-5)7(15)13-16-4-8(9,10)11/h2-4H2,1H3,(H,13,15)
InChIKeyXMAKFZIBBMERLK-UHFFFAOYSA-N
XLogP1.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
CID 81343431
4-tert-butyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
CID 82721362
4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
CID 82722344
4-cyclopropyl-N-methoxythiadiazole-5-carboxamide
CID 130718638
N-ethoxy-4-ethylthiadiazole-5-carboxamide
CID 43048038
4-ethyl-N-methoxythiadiazole-5-carboxamide
CID 60701188
N-methoxy-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204824
N-ethoxy-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204826
2-[(4-Propylthiadiazole-5-carbonyl)amino]oxyacetic acid
CID 65204999
N-methoxy-4-propylthiadiazole-5-carboxamide
CID 65210001
4-tert-butyl-N-ethoxythiadiazole-5-carboxamide
CID 65210050
N-ethoxy-4-propylthiadiazole-5-carboxamide
CID 65210051

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
The IUPAC name of 4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide (CID 82722345) is 4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
The canonical SMILES for 4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NOCC(F)(F)F.
What is the InChIKey of 4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
The InChIKey is XMAKFZIBBMERLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c1-2-3-5-6(17-14-12-5)7(15)13-16-4-8(9,10)11/h2-4H2,1H3,(H,13,15).
What are the key properties of 4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide?
4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide has a molecular weight of 269.25 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide is sourced from PubChem (CID 82722345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).