N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

C13H20N2O2S — CID 79894997

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1nc(CNC2CCOC3(CCOC3)C2)cs1
InChIInChI=1S/C13H20N2O2S/c1-10-15-12(8-18-10)7-14-11-2-4-17-13(6-11)3-5-16-9-13/h8,11,14H,2-7,9H2,1H3
InChIKeyBDZLRZAKEDVBBE-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.88
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79894997) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79894997
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1nc(CNC2CCOC3(CCOC3)C2)cs1
InChIInChI=1S/C13H20N2O2S/c1-10-15-12(8-18-10)7-14-11-2-4-17-13(6-11)3-5-16-9-13/h8,11,14H,2-7,9H2,1H3
InChIKeyBDZLRZAKEDVBBE-UHFFFAOYSA-N
XLogP1.88
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (CID 79894997) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is Cc1nc(CNC2CCOC3(CCOC3)C2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is BDZLRZAKEDVBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-15-12(8-18-10)7-14-11-2-4-17-13(6-11)3-5-16-9-13/h8,11,14H,2-7,9H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 268.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79894997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).