2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole

C16H20FN5S — CID 97450254

IUPAC2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
SMILESFc1cnc(N2CCC[C@]3(CCN(Cc4nccs4)C3)C2)nc1
InChIInChI=1S/C16H20FN5S/c17-13-8-19-15(20-9-13)22-5-1-2-16(12-22)3-6-21(11-16)10-14-18-4-7-23-14/h4,7-9H,1-3,5-6,10-12H2/t16-/m1/s1
InChIKeyCFUQXEOGBDPTHN-MRXNPFEDSA-N
MW333.44 g/mol
LogP2.56
Rot. Bonds3

About 2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole

2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole (PubChem CID 97450254) has the molecular formula C16H20FN5S and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
PubChem CID97450254
Molecular FormulaC16H20FN5S
Molecular Weight333.44 g/mol
Exact Mass333.14
IUPAC Name2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
SMILESFc1cnc(N2CCC[C@]3(CCN(Cc4nccs4)C3)C2)nc1
InChIInChI=1S/C16H20FN5S/c17-13-8-19-15(20-9-13)22-5-1-2-16(12-22)3-6-21(11-16)10-14-18-4-7-23-14/h4,7-9H,1-3,5-6,10-12H2/t16-/m1/s1
InChIKeyCFUQXEOGBDPTHN-MRXNPFEDSA-N
XLogP2.56
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole (CID 97450254) is 2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole is Fc1cnc(N2CCC[C@]3(CCN(Cc4nccs4)C3)C2)nc1.
What is the InChIKey of 2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
The InChIKey is CFUQXEOGBDPTHN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20FN5S/c17-13-8-19-15(20-9-13)22-5-1-2-16(12-22)3-6-21(11-16)10-14-18-4-7-23-14/h4,7-9H,1-3,5-6,10-12H2/t16-/m1/s1.
What are the key properties of 2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole has a molecular weight of 333.44 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97450254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).