[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone

C16H18FN5OS — CID 97449454

IUPAC[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C16H18FN5OS/c17-12-7-18-15(19-8-12)21-4-1-16(2-5-21)3-6-22(10-16)14(23)13-9-24-11-20-13/h7-9,11H,1-6,10H2
InChIKeyNFWKEMMQSILKSV-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.20
Rot. Bonds2

About [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone

[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 97449454) has the molecular formula C16H18FN5OS and a molecular weight of 347.42 g/mol. Its IUPAC name is [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID97449454
Molecular FormulaC16H18FN5OS
Molecular Weight347.42 g/mol
Exact Mass347.12
IUPAC Name[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C16H18FN5OS/c17-12-7-18-15(19-8-12)21-4-1-16(2-5-21)3-6-22(10-16)14(23)13-9-24-11-20-13/h7-9,11H,1-6,10H2
InChIKeyNFWKEMMQSILKSV-UHFFFAOYSA-N
XLogP2.20
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone (CID 97449454) is [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC2(CCN(c3ncc(F)cn3)CC2)C1.
What is the InChIKey of [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is NFWKEMMQSILKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5OS/c17-12-7-18-15(19-8-12)21-4-1-16(2-5-21)3-6-22(10-16)14(23)13-9-24-11-20-13/h7-9,11H,1-6,10H2.
What are the key properties of [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97449454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).