N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine

C13H20N2O2S — CID 60958342

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1ncc(CNC2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C13H20N2O2S/c1-10-14-8-12(18-10)9-15-11-2-4-13(5-3-11)16-6-7-17-13/h8,11,15H,2-7,9H2,1H3
InChIKeyQEADPJWTDSZDQU-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.23
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 60958342) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID60958342
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCc1ncc(CNC2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C13H20N2O2S/c1-10-14-8-12(18-10)9-15-11-2-4-13(5-3-11)16-6-7-17-13/h8,11,15H,2-7,9H2,1H3
InChIKeyQEADPJWTDSZDQU-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine
CID 124509220
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704086
N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine
CID 63622731
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
CID 60941990
N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine
CID 61280795
1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine
CID 79459261
N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61035182
3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
CID 115656347
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
3-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine
CID 61282176
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 112705229
5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one
CID 63378448

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 60958342) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine is Cc1ncc(CNC2CCC3(CC2)OCCO3)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is QEADPJWTDSZDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-14-8-12(18-10)9-15-11-2-4-13(5-3-11)16-6-7-17-13/h8,11,15H,2-7,9H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 268.38 g/mol, XLogP of 2.23, 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-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 60958342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).