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

C8H11F2N3OS — CID 103894633

IUPAC3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
SMILESOC(CNc1nc(C2CC2)ns1)C(F)F
InChIInChI=1S/C8H11F2N3OS/c9-6(10)5(14)3-11-8-12-7(13-15-8)4-1-2-4/h4-6,14H,1-3H2,(H,11,12,13)
InChIKeyMSVMLFQXPGMGJB-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.45
Rot. Bonds5

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

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol (PubChem CID 103894633) has the molecular formula C8H11F2N3OS and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
PubChem CID103894633
Molecular FormulaC8H11F2N3OS
Molecular Weight235.26 g/mol
Exact Mass235.06
IUPAC Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
SMILESOC(CNc1nc(C2CC2)ns1)C(F)F
InChIInChI=1S/C8H11F2N3OS/c9-6(10)5(14)3-11-8-12-7(13-15-8)4-1-2-4/h4-6,14H,1-3H2,(H,11,12,13)
InChIKeyMSVMLFQXPGMGJB-UHFFFAOYSA-N
XLogP1.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.45
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-difluoropropan-2-ol?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol (CID 103894633) is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol is OC(CNc1nc(C2CC2)ns1)C(F)F.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol?
The InChIKey is MSVMLFQXPGMGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3OS/c9-6(10)5(14)3-11-8-12-7(13-15-8)4-1-2-4/h4-6,14H,1-3H2,(H,11,12,13).
What are the key properties of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol?
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol has a molecular weight of 235.26 g/mol, XLogP of 1.45, 5 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-difluoropropan-2-ol is sourced from PubChem (CID 103894633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).