N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C12H22N2OS — CID 104841630

IUPACN-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nc(C(C)OC)sc1CNC(C)C
InChIInChI=1S/C12H22N2OS/c1-6-10-11(7-13-8(2)3)16-12(14-10)9(4)15-5/h8-9,13H,6-7H2,1-5H3
InChIKeyCGJUNGAVUYURGN-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.91
Rot. Bonds6

About N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 104841630) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID104841630
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nc(C(C)OC)sc1CNC(C)C
InChIInChI=1S/C12H22N2OS/c1-6-10-11(7-13-8(2)3)16-12(14-10)9(4)15-5/h8-9,13H,6-7H2,1-5H3
InChIKeyCGJUNGAVUYURGN-UHFFFAOYSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 104841630) is N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCc1nc(C(C)OC)sc1CNC(C)C.
What is the InChIKey of N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is CGJUNGAVUYURGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-6-10-11(7-13-8(2)3)16-12(14-10)9(4)15-5/h8-9,13H,6-7H2,1-5H3.
What are the key properties of N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 104841630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).