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

C14H23N3S — CID 71977147

IUPAC4-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
SMILESCN1CCN(Cc2cscn2)C2(CCCCC2)C1
InChIInChI=1S/C14H23N3S/c1-16-7-8-17(9-13-10-18-12-15-13)14(11-16)5-3-2-4-6-14/h10,12H,2-9,11H2,1H3
InChIKeyCDKROVDGNPKGDH-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.59
Rot. Bonds2

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

4-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole (PubChem CID 71977147) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 4-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
PubChem CID71977147
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name4-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
SMILESCN1CCN(Cc2cscn2)C2(CCCCC2)C1
InChIInChI=1S/C14H23N3S/c1-16-7-8-17(9-13-10-18-12-15-13)14(11-16)5-3-2-4-6-14/h10,12H,2-9,11H2,1H3
InChIKeyCDKROVDGNPKGDH-UHFFFAOYSA-N
XLogP2.59
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole (CID 71977147) is 4-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole is CN1CCN(Cc2cscn2)C2(CCCCC2)C1.
What is the InChIKey of 4-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole?
The InChIKey is CDKROVDGNPKGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-16-7-8-17(9-13-10-18-12-15-13)14(11-16)5-3-2-4-6-14/h10,12H,2-9,11H2,1H3.
What are the key properties of 4-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole?
4-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole has a molecular weight of 265.43 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 71977147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).