(2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C13H20N2OS — CID 114031677

IUPAC(2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1ncc(C(N)C2CCOC3(CCC3)C2)s1
InChIInChI=1S/C13H20N2OS/c1-9-15-8-11(17-9)12(14)10-3-6-16-13(7-10)4-2-5-13/h8,10,12H,2-7,14H2,1H3
InChIKeyQYELBMNRNWMNKM-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.80
Rot. Bonds2

About (2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

(2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 114031677) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID114031677
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCc1ncc(C(N)C2CCOC3(CCC3)C2)s1
InChIInChI=1S/C13H20N2OS/c1-9-15-8-11(17-9)12(14)10-3-6-16-13(7-10)4-2-5-13/h8,10,12H,2-7,14H2,1H3
InChIKeyQYELBMNRNWMNKM-UHFFFAOYSA-N
XLogP2.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914757
(5-chlorothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016183
(5-bromothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915556
5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 105010365
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine
CID 79914138
6-oxaspiro[4.5]decan-9-yl(pyrazin-2-yl)methanamine
CID 79914615
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016692
(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170198
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518
(1-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911247
(1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79911940

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 114031677) is (2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is Cc1ncc(C(N)C2CCOC3(CCC3)C2)s1.
What is the InChIKey of (2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is QYELBMNRNWMNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-15-8-11(17-9)12(14)10-3-6-16-13(7-10)4-2-5-13/h8,10,12H,2-7,14H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
(2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 252.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-5-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 114031677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).