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

C15H25N3S — CID 64948404

IUPAC2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole
SMILESCc1nc(CN2CC3(CCCCC3)NCC2C)cs1
InChIInChI=1S/C15H25N3S/c1-12-8-16-15(6-4-3-5-7-15)11-18(12)9-14-10-19-13(2)17-14/h10,12,16H,3-9,11H2,1-2H3
InChIKeySOZAZMOGWVQGHI-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.95
Rot. Bonds2

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

2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole (PubChem CID 64948404) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole
PubChem CID64948404
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole
SMILESCc1nc(CN2CC3(CCCCC3)NCC2C)cs1
InChIInChI=1S/C15H25N3S/c1-12-8-16-15(6-4-3-5-7-15)11-18(12)9-14-10-19-13(2)17-14/h10,12,16H,3-9,11H2,1-2H3
InChIKeySOZAZMOGWVQGHI-UHFFFAOYSA-N
XLogP2.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole (CID 64948404) is 2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole is Cc1nc(CN2CC3(CCCCC3)NCC2C)cs1.
What is the InChIKey of 2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole?
The InChIKey is SOZAZMOGWVQGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-12-8-16-15(6-4-3-5-7-15)11-18(12)9-14-10-19-13(2)17-14/h10,12,16H,3-9,11H2,1-2H3.
What are the key properties of 2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole?
2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole has a molecular weight of 279.45 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-methyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 64948404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).