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

C11H10Cl2N2S — CID 83156449

IUPAC4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(Cc1ccccc1Cl)c1nc(Cl)cs1
InChIInChI=1S/C11H10Cl2N2S/c1-15(11-14-10(13)7-16-11)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3
InChIKeyDIIJWWATYZEYCS-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.09
Rot. Bonds3

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

4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 83156449) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is 4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID83156449
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(Cc1ccccc1Cl)c1nc(Cl)cs1
InChIInChI=1S/C11H10Cl2N2S/c1-15(11-14-10(13)7-16-11)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3
InChIKeyDIIJWWATYZEYCS-UHFFFAOYSA-N
XLogP4.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine (CID 83156449) is 4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine is CN(Cc1ccccc1Cl)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is DIIJWWATYZEYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c1-15(11-14-10(13)7-16-11)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3.
What are the key properties of 4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 273.19 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 83156449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).