(6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane

C14H17FN6OS — CID 97492258

IUPAC(6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCC[C@]3(C2)CN(c2nncs2)CCO3)nc1
InChIInChI=1S/C14H17FN6OS/c15-11-6-16-12(17-7-11)20-3-1-2-14(8-20)9-21(4-5-22-14)13-19-18-10-23-13/h6-7,10H,1-5,8-9H2/t14-/m0/s1
InChIKeySUBVPLIZGOVEBY-AWEZNQCLSA-N
MW336.40 g/mol
LogP1.34
Rot. Bonds2

About (6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane

(6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 97492258) has the molecular formula C14H17FN6OS and a molecular weight of 336.40 g/mol. Its IUPAC name is (6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID97492258
Molecular FormulaC14H17FN6OS
Molecular Weight336.40 g/mol
Exact Mass336.12
IUPAC Name(6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCC[C@]3(C2)CN(c2nncs2)CCO3)nc1
InChIInChI=1S/C14H17FN6OS/c15-11-6-16-12(17-7-11)20-3-1-2-14(8-20)9-21(4-5-22-14)13-19-18-10-23-13/h6-7,10H,1-5,8-9H2/t14-/m0/s1
InChIKeySUBVPLIZGOVEBY-AWEZNQCLSA-N
XLogP1.34
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of (6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane (CID 97492258) is (6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane is Fc1cnc(N2CCC[C@]3(C2)CN(c2nncs2)CCO3)nc1.
What is the InChIKey of (6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is SUBVPLIZGOVEBY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17FN6OS/c15-11-6-16-12(17-7-11)20-3-1-2-14(8-20)9-21(4-5-22-14)13-19-18-10-23-13/h6-7,10H,1-5,8-9H2/t14-/m0/s1.
What are the key properties of (6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
(6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 336.40 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(5-fluoropyrimidin-2-yl)-4-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 97492258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).