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

C17H21N3OS2 — CID 97369933

IUPAC1,3-thiazol-4-yl-[8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(c1cscn1)N1CCC2(CCN(Cc3ccsc3)CC2)C1
InChIInChI=1S/C17H21N3OS2/c21-16(15-11-23-13-18-15)20-7-4-17(12-20)2-5-19(6-3-17)9-14-1-8-22-10-14/h1,8,10-11,13H,2-7,9,12H2
InChIKeyZVLWNLZPXGGLDF-UHFFFAOYSA-N
MW347.51 g/mol
LogP3.33
Rot. Bonds3

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

1,3-thiazol-4-yl-[8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 97369933) has the molecular formula C17H21N3OS2 and a molecular weight of 347.51 g/mol. Its IUPAC name is 1,3-thiazol-4-yl-[8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name1,3-thiazol-4-yl-[8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID97369933
Molecular FormulaC17H21N3OS2
Molecular Weight347.51 g/mol
Exact Mass347.11
IUPAC Name1,3-thiazol-4-yl-[8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(c1cscn1)N1CCC2(CCN(Cc3ccsc3)CC2)C1
InChIInChI=1S/C17H21N3OS2/c21-16(15-11-23-13-18-15)20-7-4-17(12-20)2-5-19(6-3-17)9-14-1-8-22-10-14/h1,8,10-11,13H,2-7,9,12H2
InChIKeyZVLWNLZPXGGLDF-UHFFFAOYSA-N
XLogP3.33
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl-[8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of 1,3-thiazol-4-yl-[8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 97369933) is 1,3-thiazol-4-yl-[8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for 1,3-thiazol-4-yl-[8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for 1,3-thiazol-4-yl-[8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is O=C(c1cscn1)N1CCC2(CCN(Cc3ccsc3)CC2)C1.
What is the InChIKey of 1,3-thiazol-4-yl-[8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is ZVLWNLZPXGGLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS2/c21-16(15-11-23-13-18-15)20-7-4-17(12-20)2-5-19(6-3-17)9-14-1-8-22-10-14/h1,8,10-11,13H,2-7,9,12H2.
What are the key properties of 1,3-thiazol-4-yl-[8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
1,3-thiazol-4-yl-[8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 347.51 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl-[8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97369933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).