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

C11H20N2OS — CID 62402343

IUPACN-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOCCc1nc(C)c(CNC(C)C)s1
InChIInChI=1S/C11H20N2OS/c1-8(2)12-7-10-9(3)13-11(15-10)5-6-14-4/h8,12H,5-7H2,1-4H3
InChIKeyJYUIQVFWIACIBD-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.14
Rot. Bonds6

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

N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62402343) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62402343
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOCCc1nc(C)c(CNC(C)C)s1
InChIInChI=1S/C11H20N2OS/c1-8(2)12-7-10-9(3)13-11(15-10)5-6-14-4/h8,12H,5-7H2,1-4H3
InChIKeyJYUIQVFWIACIBD-UHFFFAOYSA-N
XLogP2.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62402343) is N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine is COCCc1nc(C)c(CNC(C)C)s1.
What is the InChIKey of N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is JYUIQVFWIACIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8(2)12-7-10-9(3)13-11(15-10)5-6-14-4/h8,12H,5-7H2,1-4H3.
What are the key properties of N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 228.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62402343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).