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

C10H16FN3OS — CID 166313784

IUPAC(3R)-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-fluoro-2-methylbutan-2-ol
SMILESCC(C)(O)[C@H](F)CNc1nc(C2CC2)ns1
InChIInChI=1S/C10H16FN3OS/c1-10(2,15)7(11)5-12-9-13-8(14-16-9)6-3-4-6/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)/t7-/m1/s1
InChIKeyJAMYVFKQCYQRPD-SSDOTTSWSA-N
MW245.32 g/mol
LogP1.94
Rot. Bonds5

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

(3R)-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-fluoro-2-methylbutan-2-ol (PubChem CID 166313784) has the molecular formula C10H16FN3OS and a molecular weight of 245.32 g/mol. Its IUPAC name is (3R)-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-fluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name(3R)-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-fluoro-2-methylbutan-2-ol
PubChem CID166313784
Molecular FormulaC10H16FN3OS
Molecular Weight245.32 g/mol
Exact Mass245.10
IUPAC Name(3R)-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-fluoro-2-methylbutan-2-ol
SMILESCC(C)(O)[C@H](F)CNc1nc(C2CC2)ns1
InChIInChI=1S/C10H16FN3OS/c1-10(2,15)7(11)5-12-9-13-8(14-16-9)6-3-4-6/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)/t7-/m1/s1
InChIKeyJAMYVFKQCYQRPD-SSDOTTSWSA-N
XLogP1.94
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-fluoro-2-methylbutan-2-ol?
The IUPAC name of (3R)-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-fluoro-2-methylbutan-2-ol (CID 166313784) is (3R)-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-fluoro-2-methylbutan-2-ol.
What is the SMILES notation for (3R)-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-fluoro-2-methylbutan-2-ol?
The canonical SMILES for (3R)-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-fluoro-2-methylbutan-2-ol is CC(C)(O)[C@H](F)CNc1nc(C2CC2)ns1.
What is the InChIKey of (3R)-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-fluoro-2-methylbutan-2-ol?
The InChIKey is JAMYVFKQCYQRPD-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16FN3OS/c1-10(2,15)7(11)5-12-9-13-8(14-16-9)6-3-4-6/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)/t7-/m1/s1.
What are the key properties of (3R)-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-fluoro-2-methylbutan-2-ol?
(3R)-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-fluoro-2-methylbutan-2-ol has a molecular weight of 245.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-fluoro-2-methylbutan-2-ol is sourced from PubChem (CID 166313784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).