1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C15H19ClN2S — CID 105019377

IUPAC1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C15H19ClN2S/c1-4-17-14(8-15-18-11(3)9-19-15)12-5-6-13(16)10(2)7-12/h5-7,9,14,17H,4,8H2,1-3H3
InChIKeyZIPFRHVAXWOFQY-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.31
Rot. Bonds5

About 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 105019377) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID105019377
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C15H19ClN2S/c1-4-17-14(8-15-18-11(3)9-19-15)12-5-6-13(16)10(2)7-12/h5-7,9,14,17H,4,8H2,1-3H3
InChIKeyZIPFRHVAXWOFQY-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015167
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62797403
N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62796536
1-(2-chlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62794990
1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 107994603
1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 113337124
1-(2-chlorofuran-3-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106692760
N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019257
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832315
1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840151
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 105019377) is 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nc(C)cs1)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is ZIPFRHVAXWOFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-4-17-14(8-15-18-11(3)9-19-15)12-5-6-13(16)10(2)7-12/h5-7,9,14,17H,4,8H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 294.85 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105019377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).