1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine

C15H18Cl2N2S — CID 43109283

IUPAC1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NC(C)c2ccc(Cl)c(Cl)c2)c(C)s1
InChIInChI=1S/C15H18Cl2N2S/c1-8(12-5-6-13(16)14(17)7-12)18-9(2)15-10(3)20-11(4)19-15/h5-9,18H,1-4H3
InChIKeyHJJUITRIIWSISR-UHFFFAOYSA-N
MW329.30 g/mol
LogP5.48
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine

1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 43109283) has the molecular formula C15H18Cl2N2S and a molecular weight of 329.30 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID43109283
Molecular FormulaC15H18Cl2N2S
Molecular Weight329.30 g/mol
Exact Mass328.06
IUPAC Name1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NC(C)c2ccc(Cl)c(Cl)c2)c(C)s1
InChIInChI=1S/C15H18Cl2N2S/c1-8(12-5-6-13(16)14(17)7-12)18-9(2)15-10(3)20-11(4)19-15/h5-9,18H,1-4H3
InChIKeyHJJUITRIIWSISR-UHFFFAOYSA-N
XLogP5.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.30
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 43109283) is 1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(C(C)NC(C)c2ccc(Cl)c(Cl)c2)c(C)s1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is HJJUITRIIWSISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2S/c1-8(12-5-6-13(16)14(17)7-12)18-9(2)15-10(3)20-11(4)19-15/h5-9,18H,1-4H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine?
1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 329.30 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 43109283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).