1,3-thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone

C15H17N3OS2 — CID 97472737

IUPAC1,3-thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
SMILESO=C(c1cscn1)N1CCC2(CN(Cc3ccsc3)C2)C1
InChIInChI=1S/C15H17N3OS2/c19-14(13-7-21-11-16-13)18-3-2-15(10-18)8-17(9-15)5-12-1-4-20-6-12/h1,4,6-7,11H,2-3,5,8-10H2
InChIKeyMKORGJYPCDFQSO-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.55
Rot. Bonds3

About 1,3-thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone

1,3-thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone (PubChem CID 97472737) has the molecular formula C15H17N3OS2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1,3-thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone.

Molecular Properties

Compound Name1,3-thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
PubChem CID97472737
Molecular FormulaC15H17N3OS2
Molecular Weight319.45 g/mol
Exact Mass319.08
IUPAC Name1,3-thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
SMILESO=C(c1cscn1)N1CCC2(CN(Cc3ccsc3)C2)C1
InChIInChI=1S/C15H17N3OS2/c19-14(13-7-21-11-16-13)18-3-2-15(10-18)8-17(9-15)5-12-1-4-20-6-12/h1,4,6-7,11H,2-3,5,8-10H2
InChIKeyMKORGJYPCDFQSO-UHFFFAOYSA-N
XLogP2.55
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.55
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-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone?
The IUPAC name of 1,3-thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone (CID 97472737) is 1,3-thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone.
What is the SMILES notation for 1,3-thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone?
The canonical SMILES for 1,3-thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone is O=C(c1cscn1)N1CCC2(CN(Cc3ccsc3)C2)C1.
What is the InChIKey of 1,3-thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone?
The InChIKey is MKORGJYPCDFQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c19-14(13-7-21-11-16-13)18-3-2-15(10-18)8-17(9-15)5-12-1-4-20-6-12/h1,4,6-7,11H,2-3,5,8-10H2.
What are the key properties of 1,3-thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone?
1,3-thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone has a molecular weight of 319.45 g/mol, XLogP of 2.55, 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-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone is sourced from PubChem (CID 97472737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).