3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol

C7H10F3N3OS — CID 103736426

IUPAC3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCc1nsc(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3OS/c1-2-5-12-6(15-13-5)11-3-4(14)7(8,9)10/h4,14H,2-3H2,1H3,(H,11,12,13)
InChIKeyCCYZNYVNTQPPBC-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.44
Rot. Bonds4

About 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103736426) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID103736426
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCc1nsc(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3OS/c1-2-5-12-6(15-13-5)11-3-4(14)7(8,9)10/h4,14H,2-3H2,1H3,(H,11,12,13)
InChIKeyCCYZNYVNTQPPBC-UHFFFAOYSA-N
XLogP1.44
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 103736426) is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol is CCc1nsc(NCC(O)C(F)(F)F)n1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is CCYZNYVNTQPPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-2-5-12-6(15-13-5)11-3-4(14)7(8,9)10/h4,14H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 241.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103736426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).