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

C13H22N2OS — CID 55071168

IUPAC2-methyl-N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cnc(CC2CCCO2)s1
InChIInChI=1S/C13H22N2OS/c1-13(2,3)15-9-11-8-14-12(17-11)7-10-5-4-6-16-10/h8,10,15H,4-7,9H2,1-3H3
InChIKeyOJTJOHYBOICXGK-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.75
Rot. Bonds4

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

2-methyl-N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 55071168) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID55071168
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-methyl-N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cnc(CC2CCCO2)s1
InChIInChI=1S/C13H22N2OS/c1-13(2,3)15-9-11-8-14-12(17-11)7-10-5-4-6-16-10/h8,10,15H,4-7,9H2,1-3H3
InChIKeyOJTJOHYBOICXGK-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 55071168) is 2-methyl-N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)(C)NCc1cnc(CC2CCCO2)s1.
What is the InChIKey of 2-methyl-N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is OJTJOHYBOICXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-13(2,3)15-9-11-8-14-12(17-11)7-10-5-4-6-16-10/h8,10,15H,4-7,9H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.75, 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-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 55071168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).