1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine

C16H19N3OS — CID 115331528

IUPAC1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
SMILESCCOCc1ccccc1CNCc1cn2ccsc2n1
InChIInChI=1S/C16H19N3OS/c1-2-20-12-14-6-4-3-5-13(14)9-17-10-15-11-19-7-8-21-16(19)18-15/h3-8,11,17H,2,9-10,12H2,1H3
InChIKeyBRLQVDFGORLCAF-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.22
Rot. Bonds7

About 1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine

1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine (PubChem CID 115331528) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
PubChem CID115331528
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
SMILESCCOCc1ccccc1CNCc1cn2ccsc2n1
InChIInChI=1S/C16H19N3OS/c1-2-20-12-14-6-4-3-5-13(14)9-17-10-15-11-19-7-8-21-16(19)18-15/h3-8,11,17H,2,9-10,12H2,1H3
InChIKeyBRLQVDFGORLCAF-UHFFFAOYSA-N
XLogP3.22
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[2-(methoxymethyl)phenyl]methanamine
CID 115331529
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
CID 87006464
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 115331555
1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 154872775
N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115953331
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 103851404
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanol
CID 113288919
1-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 78977028
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 115331583
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine
CID 115331313

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
The IUPAC name of 1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine (CID 115331528) is 1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
The canonical SMILES for 1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine is CCOCc1ccccc1CNCc1cn2ccsc2n1.
What is the InChIKey of 1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
The InChIKey is BRLQVDFGORLCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-2-20-12-14-6-4-3-5-13(14)9-17-10-15-11-19-7-8-21-16(19)18-15/h3-8,11,17H,2,9-10,12H2,1H3.
What are the key properties of 1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine has a molecular weight of 301.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine is sourced from PubChem (CID 115331528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).