5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine

C15H16FN3S — CID 133446267

IUPAC5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc2c(c1)C(Nc1nnc(C3CC3)s1)CCC2
InChIInChI=1S/C15H16FN3S/c16-11-7-6-9-2-1-3-13(12(9)8-11)17-15-19-18-14(20-15)10-4-5-10/h6-8,10,13H,1-5H2,(H,17,19)
InChIKeyOHCOPUKFEOGQNP-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.04
Rot. Bonds3

About 5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine

5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 133446267) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
PubChem CID133446267
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc2c(c1)C(Nc1nnc(C3CC3)s1)CCC2
InChIInChI=1S/C15H16FN3S/c16-11-7-6-9-2-1-3-13(12(9)8-11)17-15-19-18-14(20-15)10-4-5-10/h6-8,10,13H,1-5H2,(H,17,19)
InChIKeyOHCOPUKFEOGQNP-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine (CID 133446267) is 5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine is Fc1ccc2c(c1)C(Nc1nnc(C3CC3)s1)CCC2.
What is the InChIKey of 5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OHCOPUKFEOGQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3S/c16-11-7-6-9-2-1-3-13(12(9)8-11)17-15-19-18-14(20-15)10-4-5-10/h6-8,10,13H,1-5H2,(H,17,19).
What are the key properties of 5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine?
5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 289.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133446267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).