1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine

C18H18N2S — CID 104585372

IUPAC1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCc1ccccc1C(NCc1cncs1)c1ccccc1
InChIInChI=1S/C18H18N2S/c1-14-7-5-6-10-17(14)18(15-8-3-2-4-9-15)20-12-16-11-19-13-21-16/h2-11,13,18,20H,12H2,1H3
InChIKeyWNWQGVADYXAPEL-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.33
Rot. Bonds5

About 1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine

1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 104585372) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID104585372
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCc1ccccc1C(NCc1cncs1)c1ccccc1
InChIInChI=1S/C18H18N2S/c1-14-7-5-6-10-17(14)18(15-8-3-2-4-9-15)20-12-16-11-19-13-21-16/h2-11,13,18,20H,12H2,1H3
InChIKeyWNWQGVADYXAPEL-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81373323
1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732172
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 55109666
2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644178
2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
CID 115979445
1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760386
1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732234
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81366485
N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
CID 60664173

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 104585372) is 1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine is Cc1ccccc1C(NCc1cncs1)c1ccccc1.
What is the InChIKey of 1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is WNWQGVADYXAPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-14-7-5-6-10-17(14)18(15-8-3-2-4-9-15)20-12-16-11-19-13-21-16/h2-11,13,18,20H,12H2,1H3.
What are the key properties of 1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 294.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 104585372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).