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

C9H13F3N4O2S — CID 107486170

IUPAC5-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CCO)CC(F)(F)F)s1
InChIInChI=1S/C9H13F3N4O2S/c1-2-13-8-15-14-6(19-8)7(18)16(3-4-17)5-9(10,11)12/h17H,2-5H2,1H3,(H,13,15)
InChIKeyCPNQNUKXPWCLRY-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.97
Rot. Bonds6

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

5-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 107486170) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is 5-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID107486170
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC Name5-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CCO)CC(F)(F)F)s1
InChIInChI=1S/C9H13F3N4O2S/c1-2-13-8-15-14-6(19-8)7(18)16(3-4-17)5-9(10,11)12/h17H,2-5H2,1H3,(H,13,15)
InChIKeyCPNQNUKXPWCLRY-UHFFFAOYSA-N
XLogP0.97
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (CID 107486170) is 5-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)N(CCO)CC(F)(F)F)s1.
What is the InChIKey of 5-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is CPNQNUKXPWCLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c1-2-13-8-15-14-6(19-8)7(18)16(3-4-17)5-9(10,11)12/h17H,2-5H2,1H3,(H,13,15).
What are the key properties of 5-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 298.29 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 107486170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).