2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine

C8H14N2OS — CID 131162743

IUPAC2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCOC(C)C(N)c1csc(C)n1
InChIInChI=1S/C8H14N2OS/c1-5(11-3)8(9)7-4-12-6(2)10-7/h4-5,8H,9H2,1-3H3
InChIKeyIFTAHTBWDIPFNR-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.49
Rot. Bonds3

About 2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine

2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine (PubChem CID 131162743) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
PubChem CID131162743
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCOC(C)C(N)c1csc(C)n1
InChIInChI=1S/C8H14N2OS/c1-5(11-3)8(9)7-4-12-6(2)10-7/h4-5,8H,9H2,1-3H3
InChIKeyIFTAHTBWDIPFNR-UHFFFAOYSA-N
XLogP1.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of 2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine (CID 131162743) is 2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine is COC(C)C(N)c1csc(C)n1.
What is the InChIKey of 2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is IFTAHTBWDIPFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-5(11-3)8(9)7-4-12-6(2)10-7/h4-5,8H,9H2,1-3H3.
What are the key properties of 2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine has a molecular weight of 186.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 131162743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).