5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide

C8H11F3N4OS — CID 80614880

IUPAC5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1nnc(N)s1
InChIInChI=1S/C8H11F3N4OS/c1-2-3-15(4-8(9,10)11)6(16)5-13-14-7(12)17-5/h2-4H2,1H3,(H2,12,14)
InChIKeyCQVFAPQSLDJWHS-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.53
Rot. Bonds4

About 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide

5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80614880) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80614880
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC Name5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1nnc(N)s1
InChIInChI=1S/C8H11F3N4OS/c1-2-3-15(4-8(9,10)11)6(16)5-13-14-7(12)17-5/h2-4H2,1H3,(H2,12,14)
InChIKeyCQVFAPQSLDJWHS-UHFFFAOYSA-N
XLogP1.53
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80614880) is 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is CCCN(CC(F)(F)F)C(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is CQVFAPQSLDJWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c1-2-3-15(4-8(9,10)11)6(16)5-13-14-7(12)17-5/h2-4H2,1H3,(H2,12,14).
What are the key properties of 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 268.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80614880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).