5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide

C8H11F3N4OS — CID 80616261

IUPAC5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N4OS/c1-2-12-7-15-14-6(17-7)5(16)13-4-3-8(9,10)11/h2-4H2,1H3,(H,12,15)(H,13,16)
InChIKeyRHLLYUOYUYHLIA-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.65
Rot. Bonds5

About 5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616261) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is 5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616261
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC Name5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N4OS/c1-2-12-7-15-14-6(17-7)5(16)13-4-3-8(9,10)11/h2-4H2,1H3,(H,12,15)(H,13,16)
InChIKeyRHLLYUOYUYHLIA-UHFFFAOYSA-N
XLogP1.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide (CID 80616261) is 5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCCC(F)(F)F)s1.
What is the InChIKey of 5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RHLLYUOYUYHLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c1-2-12-7-15-14-6(17-7)5(16)13-4-3-8(9,10)11/h2-4H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 268.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).