2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole

C17H22FN5S — CID 98776796

IUPAC2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
SMILESFc1cnc(N2CCC3(CCN(Cc4nccs4)CC3)CC2)nc1
InChIInChI=1S/C17H22FN5S/c18-14-11-20-16(21-12-14)23-8-3-17(4-9-23)1-6-22(7-2-17)13-15-19-5-10-24-15/h5,10-12H,1-4,6-9,13H2
InChIKeyVUYCDOVBKCGRCN-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.95
Rot. Bonds3

About 2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole

2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole (PubChem CID 98776796) has the molecular formula C17H22FN5S and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
PubChem CID98776796
Molecular FormulaC17H22FN5S
Molecular Weight347.46 g/mol
Exact Mass347.16
IUPAC Name2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
SMILESFc1cnc(N2CCC3(CCN(Cc4nccs4)CC3)CC2)nc1
InChIInChI=1S/C17H22FN5S/c18-14-11-20-16(21-12-14)23-8-3-17(4-9-23)1-6-22(7-2-17)13-15-19-5-10-24-15/h5,10-12H,1-4,6-9,13H2
InChIKeyVUYCDOVBKCGRCN-UHFFFAOYSA-N
XLogP2.95
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole (CID 98776796) is 2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole is Fc1cnc(N2CCC3(CCN(Cc4nccs4)CC3)CC2)nc1.
What is the InChIKey of 2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole?
The InChIKey is VUYCDOVBKCGRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5S/c18-14-11-20-16(21-12-14)23-8-3-17(4-9-23)1-6-22(7-2-17)13-15-19-5-10-24-15/h5,10-12H,1-4,6-9,13H2.
What are the key properties of 2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole?
2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole has a molecular weight of 347.46 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-fluoropyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 98776796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).