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

C8H10F3N3OS — CID 103736425

IUPAC3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNc1nc(C2CC2)ns1)C(F)(F)F
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)5(15)3-12-7-13-6(14-16-7)4-1-2-4/h4-5,15H,1-3H2,(H,12,13,14)
InChIKeyVPMDLZIUCURIEA-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.75
Rot. Bonds4

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

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103736425) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID103736425
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNc1nc(C2CC2)ns1)C(F)(F)F
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)5(15)3-12-7-13-6(14-16-7)4-1-2-4/h4-5,15H,1-3H2,(H,12,13,14)
InChIKeyVPMDLZIUCURIEA-UHFFFAOYSA-N
XLogP1.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 103736425) is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol is OC(CNc1nc(C2CC2)ns1)C(F)(F)F.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is VPMDLZIUCURIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)5(15)3-12-7-13-6(14-16-7)4-1-2-4/h4-5,15H,1-3H2,(H,12,13,14).
What are the key properties of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 253.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103736425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).