1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine

C14H18N2S — CID 62413912

IUPAC1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCCc1ccccc1C(NC)c1nc(C)cs1
InChIInChI=1S/C14H18N2S/c1-4-11-7-5-6-8-12(11)13(15-3)14-16-10(2)9-17-14/h5-9,13,15H,4H2,1-3H3
InChIKeyVOYUWCDWFCOHRJ-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.32
Rot. Bonds4

About 1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine

1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 62413912) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID62413912
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCCc1ccccc1C(NC)c1nc(C)cs1
InChIInChI=1S/C14H18N2S/c1-4-11-7-5-6-8-12(11)13(15-3)14-16-10(2)9-17-14/h5-9,13,15H,4H2,1-3H3
InChIKeyVOYUWCDWFCOHRJ-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine (CID 62413912) is 1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine is CCc1ccccc1C(NC)c1nc(C)cs1.
What is the InChIKey of 1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is VOYUWCDWFCOHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-11-7-5-6-8-12(11)13(15-3)14-16-10(2)9-17-14/h5-9,13,15H,4H2,1-3H3.
What are the key properties of 1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 246.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 62413912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).