2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole

C12H19FN4S — CID 97484270

IUPAC2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
SMILESFCCN1CC[C@@]2(CCCN(c3nncs3)C2)C1
InChIInChI=1S/C12H19FN4S/c13-4-7-16-6-3-12(8-16)2-1-5-17(9-12)11-15-14-10-18-11/h10H,1-9H2/t12-/m0/s1
InChIKeyYFBPMUWSVSIPHU-LBPRGKRZSA-N
MW270.38 g/mol
LogP1.80
Rot. Bonds3

About 2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole

2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole (PubChem CID 97484270) has the molecular formula C12H19FN4S and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
PubChem CID97484270
Molecular FormulaC12H19FN4S
Molecular Weight270.38 g/mol
Exact Mass270.13
IUPAC Name2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
SMILESFCCN1CC[C@@]2(CCCN(c3nncs3)C2)C1
InChIInChI=1S/C12H19FN4S/c13-4-7-16-6-3-12(8-16)2-1-5-17(9-12)11-15-14-10-18-11/h10H,1-9H2/t12-/m0/s1
InChIKeyYFBPMUWSVSIPHU-LBPRGKRZSA-N
XLogP1.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole (CID 97484270) is 2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole is FCCN1CC[C@@]2(CCCN(c3nncs3)C2)C1.
What is the InChIKey of 2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The InChIKey is YFBPMUWSVSIPHU-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19FN4S/c13-4-7-16-6-3-12(8-16)2-1-5-17(9-12)11-15-14-10-18-11/h10H,1-9H2/t12-/m0/s1.
What are the key properties of 2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole has a molecular weight of 270.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 97484270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).