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

C15H16FN3S — CID 133446398

IUPAC3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
SMILESFc1ccc2c(c1)C(Nc1nc(C3CC3)ns1)CCC2
InChIInChI=1S/C15H16FN3S/c16-11-7-6-9-2-1-3-13(12(9)8-11)17-15-18-14(19-20-15)10-4-5-10/h6-8,10,13H,1-5H2,(H,17,18,19)
InChIKeyDMZZFMOBVYGPNO-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.04
Rot. Bonds3

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

3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 133446398) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
PubChem CID133446398
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
SMILESFc1ccc2c(c1)C(Nc1nc(C3CC3)ns1)CCC2
InChIInChI=1S/C15H16FN3S/c16-11-7-6-9-2-1-3-13(12(9)8-11)17-15-18-14(19-20-15)10-4-5-10/h6-8,10,13H,1-5H2,(H,17,18,19)
InChIKeyDMZZFMOBVYGPNO-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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Related Compounds

5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
CID 133446267
5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 133446372
2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133446426
3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133335140
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271488
N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65271474
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133446453
6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide
CID 133446450
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine
CID 133446462
1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650369
(2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
CID 102372507
N-ethyl-6-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carboxamide
CID 133446444

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine (CID 133446398) is 3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine is Fc1ccc2c(c1)C(Nc1nc(C3CC3)ns1)CCC2.
What is the InChIKey of 3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DMZZFMOBVYGPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3S/c16-11-7-6-9-2-1-3-13(12(9)8-11)17-15-18-14(19-20-15)10-4-5-10/h6-8,10,13H,1-5H2,(H,17,18,19).
What are the key properties of 3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-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 3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133446398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).