[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone

C14H14FN5OS — CID 97392921

IUPAC[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(C1)CN(c1ncc(F)cn1)C2
InChIInChI=1S/C14H14FN5OS/c15-10-3-16-13(17-4-10)20-7-14(8-20)1-2-19(6-14)12(21)11-5-22-9-18-11/h3-5,9H,1-2,6-8H2
InChIKeyPLNCRSHUAPZQHQ-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.42
Rot. Bonds2

About [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone

[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 97392921) has the molecular formula C14H14FN5OS and a molecular weight of 319.36 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID97392921
Molecular FormulaC14H14FN5OS
Molecular Weight319.36 g/mol
Exact Mass319.09
IUPAC Name[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(C1)CN(c1ncc(F)cn1)C2
InChIInChI=1S/C14H14FN5OS/c15-10-3-16-13(17-4-10)20-7-14(8-20)1-2-19(6-14)12(21)11-5-22-9-18-11/h3-5,9H,1-2,6-8H2
InChIKeyPLNCRSHUAPZQHQ-UHFFFAOYSA-N
XLogP1.42
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone (CID 97392921) is [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC2(C1)CN(c1ncc(F)cn1)C2.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is PLNCRSHUAPZQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5OS/c15-10-3-16-13(17-4-10)20-7-14(8-20)1-2-19(6-14)12(21)11-5-22-9-18-11/h3-5,9H,1-2,6-8H2.
What are the key properties of [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone?
[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 319.36 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97392921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).