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

C13H22N2OS — CID 62719397

IUPAC2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(Cc2cscn2)CCOC1
InChIInChI=1S/C13H22N2OS/c1-11(2)6-14-8-13(3-4-16-9-13)5-12-7-17-10-15-12/h7,10-11,14H,3-6,8-9H2,1-2H3
InChIKeyLMOXMSQVUHFYCC-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.34
Rot. Bonds6

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

2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62719397) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID62719397
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-1-amine
SMILESCC(C)CNCC1(Cc2cscn2)CCOC1
InChIInChI=1S/C13H22N2OS/c1-11(2)6-14-8-13(3-4-16-9-13)5-12-7-17-10-15-12/h7,10-11,14H,3-6,8-9H2,1-2H3
InChIKeyLMOXMSQVUHFYCC-UHFFFAOYSA-N
XLogP2.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.34
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-1-amine?
The IUPAC name of 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (CID 62719397) is 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is CC(C)CNCC1(Cc2cscn2)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is LMOXMSQVUHFYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-11(2)6-14-8-13(3-4-16-9-13)5-12-7-17-10-15-12/h7,10-11,14H,3-6,8-9H2,1-2H3.
What are the key properties of 2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.34, 6 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-1-amine is sourced from PubChem (CID 62719397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).