2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine

C13H22N2OS — CID 62717727

IUPAC2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(Cc2cscn2)CCOC1
InChIInChI=1S/C13H22N2OS/c1-12(2,3)15-8-13(4-5-16-9-13)6-11-7-17-10-14-11/h7,10,15H,4-6,8-9H2,1-3H3
InChIKeyAYAFWRXKCVLLTE-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.48
Rot. Bonds4

About 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine

2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62717727) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID62717727
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(Cc2cscn2)CCOC1
InChIInChI=1S/C13H22N2OS/c1-12(2,3)15-8-13(4-5-16-9-13)6-11-7-17-10-14-11/h7,10,15H,4-6,8-9H2,1-3H3
InChIKeyAYAFWRXKCVLLTE-UHFFFAOYSA-N
XLogP2.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine (CID 62717727) is 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine is CC(C)(C)NCC1(Cc2cscn2)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is AYAFWRXKCVLLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-12(2,3)15-8-13(4-5-16-9-13)6-11-7-17-10-14-11/h7,10,15H,4-6,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62717727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).