1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine

C14H18N2S — CID 105171257

IUPAC1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCCc1cccc(C(NC)c2scnc2C)c1
InChIInChI=1S/C14H18N2S/c1-4-11-6-5-7-12(8-11)13(15-3)14-10(2)16-9-17-14/h5-9,13,15H,4H2,1-3H3
InChIKeyMIHWGIVMMBPMLP-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.32
Rot. Bonds4

About 1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine

1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 105171257) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID105171257
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCCc1cccc(C(NC)c2scnc2C)c1
InChIInChI=1S/C14H18N2S/c1-4-11-6-5-7-12(8-11)13(15-3)14-10(2)16-9-17-14/h5-9,13,15H,4H2,1-3H3
InChIKeyMIHWGIVMMBPMLP-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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Related Compounds

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 105145906
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105188667
1-(3-ethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105171226
1-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018436
1-(3,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018579
1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105171222
(4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol
CID 105131004
1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018696
1-(2,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018513
N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105189609
[(3-ethylphenyl)-(2-methyl-3-pyridinyl)methyl]hydrazine
CID 105326300
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-quinolin-8-ylmethanamine
CID 105172558

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of 1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine (CID 105171257) is 1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for 1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for 1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine is CCc1cccc(C(NC)c2scnc2C)c1.
What is the InChIKey of 1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is MIHWGIVMMBPMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-11-6-5-7-12(8-11)13(15-3)14-10(2)16-9-17-14/h5-9,13,15H,4H2,1-3H3.
What are the key properties of 1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-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-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 105171257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).