5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole

C15H25N3S — CID 102850296

IUPAC5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCN1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H25N3S/c1-13-14(19-12-17-13)4-9-18-8-3-6-15(11-18)5-2-7-16-10-15/h12,16H,2-11H2,1H3
InChIKeySYRPCRJFEXTHKA-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.46
Rot. Bonds3

About 5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole

5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole (PubChem CID 102850296) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole
PubChem CID102850296
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCN1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H25N3S/c1-13-14(19-12-17-13)4-9-18-8-3-6-15(11-18)5-2-7-16-10-15/h12,16H,2-11H2,1H3
InChIKeySYRPCRJFEXTHKA-UHFFFAOYSA-N
XLogP2.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole (CID 102850296) is 5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole is Cc1ncsc1CCN1CCCC2(CCCNC2)C1.
What is the InChIKey of 5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole?
The InChIKey is SYRPCRJFEXTHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-13-14(19-12-17-13)4-9-18-8-3-6-15(11-18)5-2-7-16-10-15/h12,16H,2-11H2,1H3.
What are the key properties of 5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole?
5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole has a molecular weight of 279.45 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 102850296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).