2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline

C13H14Cl2N2S — CID 104726419

IUPAC2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline
SMILESCc1nc(C)c(CNc2cc(Cl)c(C)cc2Cl)s1
InChIInChI=1S/C13H14Cl2N2S/c1-7-4-11(15)12(5-10(7)14)16-6-13-8(2)17-9(3)18-13/h4-5,16H,6H2,1-3H3
InChIKeyLVBHVIKOCFIOSR-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.99
Rot. Bonds3

About 2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline

2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline (PubChem CID 104726419) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline
PubChem CID104726419
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC Name2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline
SMILESCc1nc(C)c(CNc2cc(Cl)c(C)cc2Cl)s1
InChIInChI=1S/C13H14Cl2N2S/c1-7-4-11(15)12(5-10(7)14)16-6-13-8(2)17-9(3)18-13/h4-5,16H,6H2,1-3H3
InChIKeyLVBHVIKOCFIOSR-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline (CID 104726419) is 2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline is Cc1nc(C)c(CNc2cc(Cl)c(C)cc2Cl)s1.
What is the InChIKey of 2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline?
The InChIKey is LVBHVIKOCFIOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-7-4-11(15)12(5-10(7)14)16-6-13-8(2)17-9(3)18-13/h4-5,16H,6H2,1-3H3.
What are the key properties of 2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline?
2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline has a molecular weight of 301.24 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylaniline is sourced from PubChem (CID 104726419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).