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

C8H14N2OS — CID 62536467

IUPAC1-methoxy-N-methyl-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(C)(COC)c1nccs1
InChIInChI=1S/C8H14N2OS/c1-8(9-2,6-11-3)7-10-4-5-12-7/h4-5,9H,6H2,1-3H3
InChIKeyPLLYEJDZFBYXRQ-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.22
Rot. Bonds4

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

1-methoxy-N-methyl-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 62536467) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-methoxy-N-methyl-2-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID62536467
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-methoxy-N-methyl-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(C)(COC)c1nccs1
InChIInChI=1S/C8H14N2OS/c1-8(9-2,6-11-3)7-10-4-5-12-7/h4-5,9H,6H2,1-3H3
InChIKeyPLLYEJDZFBYXRQ-UHFFFAOYSA-N
XLogP1.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-2-(1,3-thiazol-2-yl)propan-2-amine (CID 62536467) is 1-methoxy-N-methyl-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-2-(1,3-thiazol-2-yl)propan-2-amine is CNC(C)(COC)c1nccs1.
What is the InChIKey of 1-methoxy-N-methyl-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is PLLYEJDZFBYXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-8(9-2,6-11-3)7-10-4-5-12-7/h4-5,9H,6H2,1-3H3.
What are the key properties of 1-methoxy-N-methyl-2-(1,3-thiazol-2-yl)propan-2-amine?
1-methoxy-N-methyl-2-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 186.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-2-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 62536467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).