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

C16H23N3OS — CID 114366521

IUPACN-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1cnccc1-c1nc(COC)c(CNC(C)C)s1
InChIInChI=1S/C16H23N3OS/c1-5-12-8-17-7-6-13(12)16-19-14(10-20-4)15(21-16)9-18-11(2)3/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyXIWREPJLUWEGGT-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.41
Rot. Bonds7

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

N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114366521) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114366521
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1cnccc1-c1nc(COC)c(CNC(C)C)s1
InChIInChI=1S/C16H23N3OS/c1-5-12-8-17-7-6-13(12)16-19-14(10-20-4)15(21-16)9-18-11(2)3/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyXIWREPJLUWEGGT-UHFFFAOYSA-N
XLogP3.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841727
N-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114367495
N-[[4-ethyl-2-(4-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114878725
N-[[2-(2-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366494
N-[[4-(methoxymethyl)-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366596
N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366562
N-[[2-(3-ethyl-4-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365234
N-[[2-(5-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366484
N-[[2-(4-bromo-2-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114907163
N-[[2-(2-bromo-5-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107924114
[2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362110
N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366575

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114366521) is N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCc1cnccc1-c1nc(COC)c(CNC(C)C)s1.
What is the InChIKey of N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is XIWREPJLUWEGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-5-12-8-17-7-6-13(12)16-19-14(10-20-4)15(21-16)9-18-11(2)3/h6-8,11,18H,5,9-10H2,1-4H3.
What are the key properties of N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 305.45 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114366521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).