1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine

C21H21N3S — CID 154872775

IUPAC1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
SMILESCc1ccc(-c2ccccc2CNCc2cn3ccsc3n2)c(C)c1
InChIInChI=1S/C21H21N3S/c1-15-7-8-19(16(2)11-15)20-6-4-3-5-17(20)12-22-13-18-14-24-9-10-25-21(24)23-18/h3-11,14,22H,12-13H2,1-2H3
InChIKeyCVKVSWJWLGJBFS-UHFFFAOYSA-N
MW347.49 g/mol
LogP4.97
Rot. Bonds5

About 1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine

1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine (PubChem CID 154872775) has the molecular formula C21H21N3S and a molecular weight of 347.49 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
PubChem CID154872775
Molecular FormulaC21H21N3S
Molecular Weight347.49 g/mol
Exact Mass347.15
IUPAC Name1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
SMILESCc1ccc(-c2ccccc2CNCc2cn3ccsc3n2)c(C)c1
InChIInChI=1S/C21H21N3S/c1-15-7-8-19(16(2)11-15)20-6-4-3-5-17(20)12-22-13-18-14-24-9-10-25-21(24)23-18/h3-11,14,22H,12-13H2,1-2H3
InChIKeyCVKVSWJWLGJBFS-UHFFFAOYSA-N
XLogP4.97
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[2-(methoxymethyl)phenyl]methanamine
CID 115331529
1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115331528
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 115331555
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
CID 113288748
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 103851404
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine
CID 115278977
N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 55110548
1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115278962
1-(2,5-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115828306
1-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 78977028
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone
CID 115333062
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine (CID 154872775) is 1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine is Cc1ccc(-c2ccccc2CNCc2cn3ccsc3n2)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
The InChIKey is CVKVSWJWLGJBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3S/c1-15-7-8-19(16(2)11-15)20-6-4-3-5-17(20)12-22-13-18-14-24-9-10-25-21(24)23-18/h3-11,14,22H,12-13H2,1-2H3.
What are the key properties of 1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine has a molecular weight of 347.49 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine is sourced from PubChem (CID 154872775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).