4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine

C12H12Cl2N2S — CID 83156958

IUPAC4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1nc(Cl)cs1
InChIInChI=1S/C12H12Cl2N2S/c1-8(9-3-5-10(13)6-4-9)16(2)12-15-11(14)7-17-12/h3-8H,1-2H3
InChIKeyHUYKJACRHYGCEL-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.65
Rot. Bonds3

About 4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine

4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 83156958) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID83156958
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC Name4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1nc(Cl)cs1
InChIInChI=1S/C12H12Cl2N2S/c1-8(9-3-5-10(13)6-4-9)16(2)12-15-11(14)7-17-12/h3-8H,1-2H3
InChIKeyHUYKJACRHYGCEL-UHFFFAOYSA-N
XLogP4.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine (CID 83156958) is 4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine is CC(c1ccc(Cl)cc1)N(C)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is HUYKJACRHYGCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-8(9-3-5-10(13)6-4-9)16(2)12-15-11(14)7-17-12/h3-8H,1-2H3.
What are the key properties of 4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine?
4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 287.22 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 83156958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).