1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine

C12H12Cl2N2S — CID 82193718

IUPAC1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C12H12Cl2N2S/c1-7-11(6-15-2)17-12(16-7)9-4-3-8(13)5-10(9)14/h3-5,15H,6H2,1-2H3
InChIKeyFOADRVDMOOOBKI-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.14
Rot. Bonds3

About 1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 82193718) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID82193718
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC Name1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C12H12Cl2N2S/c1-7-11(6-15-2)17-12(16-7)9-4-3-8(13)5-10(9)14/h3-5,15H,6H2,1-2H3
InChIKeyFOADRVDMOOOBKI-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 82193718) is 1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2ccc(Cl)cc2Cl)nc1C.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is FOADRVDMOOOBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-7-11(6-15-2)17-12(16-7)9-4-3-8(13)5-10(9)14/h3-5,15H,6H2,1-2H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 287.22 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82193718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).