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

C7H11F2N3OS — CID 103894639

IUPAC3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
SMILESCCc1nsc(NCC(O)C(F)F)n1
InChIInChI=1S/C7H11F2N3OS/c1-2-5-11-7(14-12-5)10-3-4(13)6(8)9/h4,6,13H,2-3H2,1H3,(H,10,11,12)
InChIKeyHMAOKAQRANRXET-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.14
Rot. Bonds5

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

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol (PubChem CID 103894639) has the molecular formula C7H11F2N3OS and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
PubChem CID103894639
Molecular FormulaC7H11F2N3OS
Molecular Weight223.25 g/mol
Exact Mass223.06
IUPAC Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
SMILESCCc1nsc(NCC(O)C(F)F)n1
InChIInChI=1S/C7H11F2N3OS/c1-2-5-11-7(14-12-5)10-3-4(13)6(8)9/h4,6,13H,2-3H2,1H3,(H,10,11,12)
InChIKeyHMAOKAQRANRXET-UHFFFAOYSA-N
XLogP1.14
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.14
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-difluoropropan-2-ol?
The IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol (CID 103894639) is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol is CCc1nsc(NCC(O)C(F)F)n1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol?
The InChIKey is HMAOKAQRANRXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3OS/c1-2-5-11-7(14-12-5)10-3-4(13)6(8)9/h4,6,13H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol?
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol has a molecular weight of 223.25 g/mol, XLogP of 1.14, 5 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-difluoropropan-2-ol is sourced from PubChem (CID 103894639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).