2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

C11H10Cl2N2S — CID 104726418

IUPAC2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCc1cc(Cl)c(NCc2cscn2)cc1Cl
InChIInChI=1S/C11H10Cl2N2S/c1-7-2-10(13)11(3-9(7)12)14-4-8-5-16-6-15-8/h2-3,5-6,14H,4H2,1H3
InChIKeyVSMYWXODJJFJTK-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.37
Rot. Bonds3

About 2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 104726418) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is 2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID104726418
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCc1cc(Cl)c(NCc2cscn2)cc1Cl
InChIInChI=1S/C11H10Cl2N2S/c1-7-2-10(13)11(3-9(7)12)14-4-8-5-16-6-15-8/h2-3,5-6,14H,4H2,1H3
InChIKeyVSMYWXODJJFJTK-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 113334569
5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine
CID 171644777
2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107527417
2-chloro-4-iodo-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169264
2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60683495
5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696679
2,5-dichloro-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115755781
4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61168854
5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 115914406
2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103478131
5-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83265932
4-chloro-2-N-(1,3-thiazol-4-ylmethyl)benzene-1,2-diamine
CID 115468994

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (CID 104726418) is 2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is Cc1cc(Cl)c(NCc2cscn2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is VSMYWXODJJFJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c1-7-2-10(13)11(3-9(7)12)14-4-8-5-16-6-15-8/h2-3,5-6,14H,4H2,1H3.
What are the key properties of 2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 273.19 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 104726418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).