2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine

C11H18N2OS — CID 115895026

IUPAC2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine
SMILESCc1ncc(CCNC2CCOC2C)s1
InChIInChI=1S/C11H18N2OS/c1-8-11(4-6-14-8)12-5-3-10-7-13-9(2)15-10/h7-8,11-12H,3-6H2,1-2H3
InChIKeyBKICFCSVBGKKKU-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.76
Rot. Bonds4

About 2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine

2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine (PubChem CID 115895026) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine
PubChem CID115895026
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine
SMILESCc1ncc(CCNC2CCOC2C)s1
InChIInChI=1S/C11H18N2OS/c1-8-11(4-6-14-8)12-5-3-10-7-13-9(2)15-10/h7-8,11-12H,3-6H2,1-2H3
InChIKeyBKICFCSVBGKKKU-UHFFFAOYSA-N
XLogP1.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine (CID 115895026) is 2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine is Cc1ncc(CCNC2CCOC2C)s1.
What is the InChIKey of 2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine?
The InChIKey is BKICFCSVBGKKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-11(4-6-14-8)12-5-3-10-7-13-9(2)15-10/h7-8,11-12H,3-6H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine?
2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine has a molecular weight of 226.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine is sourced from PubChem (CID 115895026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).