2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole

C15H19N3S2 — CID 97369878

IUPAC2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CC3(CCN(Cc4ccsc4)C3)C2)n1
InChIInChI=1S/C15H19N3S2/c1-5-19-9-13(1)7-17-4-2-15(10-17)11-18(12-15)8-14-16-3-6-20-14/h1,3,5-6,9H,2,4,7-8,10-12H2
InChIKeyQOAICMZYAZHFHS-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.91
Rot. Bonds4

About 2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole

2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole (PubChem CID 97369878) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole
PubChem CID97369878
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC Name2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CC3(CCN(Cc4ccsc4)C3)C2)n1
InChIInChI=1S/C15H19N3S2/c1-5-19-9-13(1)7-17-4-2-15(10-17)11-18(12-15)8-14-16-3-6-20-14/h1,3,5-6,9H,2,4,7-8,10-12H2
InChIKeyQOAICMZYAZHFHS-UHFFFAOYSA-N
XLogP2.91
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole (CID 97369878) is 2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole is c1csc(CN2CC3(CCN(Cc4ccsc4)C3)C2)n1.
What is the InChIKey of 2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole?
The InChIKey is QOAICMZYAZHFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-5-19-9-13(1)7-17-4-2-15(10-17)11-18(12-15)8-14-16-3-6-20-14/h1,3,5-6,9H,2,4,7-8,10-12H2.
What are the key properties of 2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole?
2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole has a molecular weight of 305.47 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97369878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).