[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine

C9H16N2OS — CID 104840940

IUPAC[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(C(C)OC)sc1CN
InChIInChI=1S/C9H16N2OS/c1-4-7-8(5-10)13-9(11-7)6(2)12-3/h6H,4-5,10H2,1-3H3
InChIKeyMKVJZBCOBJNYLJ-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.87
Rot. Bonds4

About [4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine

[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 104840940) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is [4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID104840940
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(C(C)OC)sc1CN
InChIInChI=1S/C9H16N2OS/c1-4-7-8(5-10)13-9(11-7)6(2)12-3/h6H,4-5,10H2,1-3H3
InChIKeyMKVJZBCOBJNYLJ-UHFFFAOYSA-N
XLogP1.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine (CID 104840940) is [4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine is CCc1nc(C(C)OC)sc1CN.
What is the InChIKey of [4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is MKVJZBCOBJNYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-4-7-8(5-10)13-9(11-7)6(2)12-3/h6H,4-5,10H2,1-3H3.
What are the key properties of [4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine?
[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 200.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 104840940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).