N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine

C18H18N2S — CID 81178171

IUPACN-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(-c2cccc(C)c2)nc1-c1ccccc1
InChIInChI=1S/C18H18N2S/c1-13-7-6-10-15(11-13)18-20-17(16(21-18)12-19-2)14-8-4-3-5-9-14/h3-11,19H,12H2,1-2H3
InChIKeyVEIPLNHPUCBSRD-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.50
Rot. Bonds4

About N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine

N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine (PubChem CID 81178171) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
PubChem CID81178171
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(-c2cccc(C)c2)nc1-c1ccccc1
InChIInChI=1S/C18H18N2S/c1-13-7-6-10-15(11-13)18-20-17(16(21-18)12-19-2)14-8-4-3-5-9-14/h3-11,19H,12H2,1-2H3
InChIKeyVEIPLNHPUCBSRD-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine (CID 81178171) is N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine is CNCc1sc(-c2cccc(C)c2)nc1-c1ccccc1.
What is the InChIKey of N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is VEIPLNHPUCBSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-13-7-6-10-15(11-13)18-20-17(16(21-18)12-19-2)14-8-4-3-5-9-14/h3-11,19H,12H2,1-2H3.
What are the key properties of N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 81178171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).