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

C17H21N5O2S — CID 91922275

IUPAC[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CC1)CN(c1ccncn1)CC2CO
InChIInChI=1S/C17H21N5O2S/c23-8-13-7-22(15-1-4-18-11-19-15)10-17(13)2-5-21(6-3-17)16(24)14-9-25-12-20-14/h1,4,9,11-13,23H,2-3,5-8,10H2
InChIKeyGEVGNUDNNAJMLR-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.28
Rot. Bonds3

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

[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 91922275) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID91922275
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CC1)CN(c1ccncn1)CC2CO
InChIInChI=1S/C17H21N5O2S/c23-8-13-7-22(15-1-4-18-11-19-15)10-17(13)2-5-21(6-3-17)16(24)14-9-25-12-20-14/h1,4,9,11-13,23H,2-3,5-8,10H2
InChIKeyGEVGNUDNNAJMLR-UHFFFAOYSA-N
XLogP1.28
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone (CID 91922275) is [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC2(CC1)CN(c1ccncn1)CC2CO.
What is the InChIKey of [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is GEVGNUDNNAJMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c23-8-13-7-22(15-1-4-18-11-19-15)10-17(13)2-5-21(6-3-17)16(24)14-9-25-12-20-14/h1,4,9,11-13,23H,2-3,5-8,10H2.
What are the key properties of [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 359.46 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 91922275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).