1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine

Name: 1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₂₂N₂OS — CID 91636055

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine

SMILESCOCC(NC(C)c1ncc(C)s1)C(C)C

InChIInChI=1S/C12H22N2OS/c1-8(2)11(7-15-5)14-10(4)12-13-6-9(3)16-12/h6,8,10-11,14H,7H2,1-5H3

InChIKeyLYUGXSMQECLTEF-UHFFFAOYSA-N

MW242.39 g/mol

LogP2.77

Rot. Bonds6

About 1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine

1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine (PubChem CID 91636055) has the molecular formula C₁₂H₂₂N₂OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name	1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
PubChem CID	91636055
Molecular Formula	C₁₂H₂₂N₂OS
Molecular Weight	242.39 g/mol
Exact Mass	242.15
IUPAC Name	1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
SMILES	COCC(NC(C)c1ncc(C)s1)C(C)C
InChI	InChI=1S/C12H22N2OS/c1-8(2)11(7-15-5)14-10(4)12-13-6-9(3)16-12/h6,8,10-11,14H,7H2,1-5H3
InChIKey	LYUGXSMQECLTEF-UHFFFAOYSA-N
XLogP	2.77
TPSA	34.15 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	242.39
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?

The IUPAC name of 1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine (CID 91636055) is 1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine.

What is the SMILES notation for 1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?

The canonical SMILES for 1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine is COCC(NC(C)c1ncc(C)s1)C(C)C.

What is the InChIKey of 1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?

The InChIKey is LYUGXSMQECLTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-8(2)11(7-15-5)14-10(4)12-13-6-9(3)16-12/h6,8,10-11,14H,7H2,1-5H3.

What are the key properties of 1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine?

1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine is sourced from PubChem (CID 91636055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 91636055 — identifiers, structure, computed properties (public domain)

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