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

C17H22N4OS2 — CID 97369937

IUPAC[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1nc(CN2CCC3(CC2)CCN(C(=O)c2cscn2)C3)cs1
InChIInChI=1S/C17H22N4OS2/c1-13-19-14(9-24-13)8-20-5-2-17(3-6-20)4-7-21(11-17)16(22)15-10-23-12-18-15/h9-10,12H,2-8,11H2,1H3
InChIKeyGADLMPSBPLPFCC-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.04
Rot. Bonds3

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

[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 97369937) has the molecular formula C17H22N4OS2 and a molecular weight of 362.52 g/mol. Its IUPAC name is [8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID97369937
Molecular FormulaC17H22N4OS2
Molecular Weight362.52 g/mol
Exact Mass362.12
IUPAC Name[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1nc(CN2CCC3(CC2)CCN(C(=O)c2cscn2)C3)cs1
InChIInChI=1S/C17H22N4OS2/c1-13-19-14(9-24-13)8-20-5-2-17(3-6-20)4-7-21(11-17)16(22)15-10-23-12-18-15/h9-10,12H,2-8,11H2,1H3
InChIKeyGADLMPSBPLPFCC-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone (CID 97369937) is [8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone is Cc1nc(CN2CCC3(CC2)CCN(C(=O)c2cscn2)C3)cs1.
What is the InChIKey of [8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is GADLMPSBPLPFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS2/c1-13-19-14(9-24-13)8-20-5-2-17(3-6-20)4-7-21(11-17)16(22)15-10-23-12-18-15/h9-10,12H,2-8,11H2,1H3.
What are the key properties of [8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 362.52 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97369937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).