5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine

C19H26N4S — CID 120903266

IUPAC5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC3(CCCN(Cc4ccccc4)C3)C2)s1
InChIInChI=1S/C19H26N4S/c20-18-21-11-17(24-18)13-23-10-8-19(15-23)7-4-9-22(14-19)12-16-5-2-1-3-6-16/h1-3,5-6,11H,4,7-10,12-15H2,(H2,20,21)
InChIKeyJKJDGZIKAWSZDS-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.21
Rot. Bonds4

About 5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine

5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120903266) has the molecular formula C19H26N4S and a molecular weight of 342.51 g/mol. Its IUPAC name is 5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120903266
Molecular FormulaC19H26N4S
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC3(CCCN(Cc4ccccc4)C3)C2)s1
InChIInChI=1S/C19H26N4S/c20-18-21-11-17(24-18)13-23-10-8-19(15-23)7-4-9-22(14-19)12-16-5-2-1-3-6-16/h1-3,5-6,11H,4,7-10,12-15H2,(H2,20,21)
InChIKeyJKJDGZIKAWSZDS-UHFFFAOYSA-N
XLogP3.21
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine (CID 120903266) is 5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCC3(CCCN(Cc4ccccc4)C3)C2)s1.
What is the InChIKey of 5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is JKJDGZIKAWSZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S/c20-18-21-11-17(24-18)13-23-10-8-19(15-23)7-4-9-22(14-19)12-16-5-2-1-3-6-16/h1-3,5-6,11H,4,7-10,12-15H2,(H2,20,21).
What are the key properties of 5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine?
5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 342.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120903266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).