(9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone

C16H19N5O2S — CID 97450867

IUPAC(9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCOC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C16H19N5O2S/c22-14(13-10-24-12-19-13)21-8-9-23-16(11-21)2-6-20(7-3-16)15-17-4-1-5-18-15/h1,4-5,10,12H,2-3,6-9,11H2
InChIKeyRLQJOMNKABFHAH-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.44
Rot. Bonds2

About (9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone

(9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 97450867) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is (9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID97450867
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name(9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCOC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C16H19N5O2S/c22-14(13-10-24-12-19-13)21-8-9-23-16(11-21)2-6-20(7-3-16)15-17-4-1-5-18-15/h1,4-5,10,12H,2-3,6-9,11H2
InChIKeyRLQJOMNKABFHAH-UHFFFAOYSA-N
XLogP1.44
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone (CID 97450867) is (9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCOC2(CCN(c3ncccn3)CC2)C1.
What is the InChIKey of (9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is RLQJOMNKABFHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c22-14(13-10-24-12-19-13)21-8-9-23-16(11-21)2-6-20(7-3-16)15-17-4-1-5-18-15/h1,4-5,10,12H,2-3,6-9,11H2.
What are the key properties of (9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone?
(9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 345.43 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97450867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).