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

C16H23N3OS — CID 62455746

IUPAC2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nc(COCCc2ccccn2)cs1
InChIInChI=1S/C16H23N3OS/c1-16(2,3)18-10-15-19-14(12-21-15)11-20-9-7-13-6-4-5-8-17-13/h4-6,8,12,18H,7,9-11H2,1-3H3
InChIKeyZXUCOPYOGQLXIV-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.19
Rot. Bonds7

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

2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 62455746) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID62455746
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nc(COCCc2ccccn2)cs1
InChIInChI=1S/C16H23N3OS/c1-16(2,3)18-10-15-19-14(12-21-15)11-20-9-7-13-6-4-5-8-17-13/h4-6,8,12,18H,7,9-11H2,1-3H3
InChIKeyZXUCOPYOGQLXIV-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62449895
2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 106449918
2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
2-methyl-N-[2-(2-pyridin-2-ylethoxy)ethyl]propan-2-amine
CID 62456481
N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62444364
N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 82006022
2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 103285606
N-tert-butyl-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389545
N-[[4-(1-ethoxypropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 103490551
2-methyl-N-[[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291494
N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62450130
2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62486890

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 62455746) is 2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nc(COCCc2ccccn2)cs1.
What is the InChIKey of 2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is ZXUCOPYOGQLXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-16(2,3)18-10-15-19-14(12-21-15)11-20-9-7-13-6-4-5-8-17-13/h4-6,8,12,18H,7,9-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 305.45 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62455746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).