1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine

C14H17ClN2S — CID 106858475

IUPAC1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)c1ccc(C)cc1Cl
InChIInChI=1S/C14H17ClN2S/c1-3-17-14(7-11-8-16-9-18-11)12-5-4-10(2)6-13(12)15/h4-6,8-9,14,17H,3,7H2,1-2H3
InChIKeyNHLZRTMIJCHCPN-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.00
Rot. Bonds5

About 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine

1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 106858475) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID106858475
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)c1ccc(C)cc1Cl
InChIInChI=1S/C14H17ClN2S/c1-3-17-14(7-11-8-16-9-18-11)12-5-4-10(2)6-13(12)15/h4-6,8-9,14,17H,3,7H2,1-2H3
InChIKeyNHLZRTMIJCHCPN-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106792380
1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107946640
N-[1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030701
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107968948
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177921
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine
CID 106868592
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114894876
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030297
N-[1-(2-fluoro-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030418
1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106856990
N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030608
1-(2-chloro-4-methylphenyl)-N-ethyloctan-1-amine
CID 106857215

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine (CID 106858475) is 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine is CCNC(Cc1cncs1)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is NHLZRTMIJCHCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-3-17-14(7-11-8-16-9-18-11)12-5-4-10(2)6-13(12)15/h4-6,8-9,14,17H,3,7H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 280.82 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 106858475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).