2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline

C11H10Cl2N2OS — CID 168583076

IUPAC2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C11H10Cl2N2OS/c1-16-7-2-3-9(12)10(4-7)14-5-8-6-15-11(13)17-8/h2-4,6,14H,5H2,1H3
InChIKeyHGCMIWORTNDMSD-UHFFFAOYSA-N
MW289.19 g/mol
LogP4.07
Rot. Bonds4

About 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline

2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline (PubChem CID 168583076) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline
PubChem CID168583076
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C11H10Cl2N2OS/c1-16-7-2-3-9(12)10(4-7)14-5-8-6-15-11(13)17-8/h2-4,6,14H,5H2,1H3
InChIKeyHGCMIWORTNDMSD-UHFFFAOYSA-N
XLogP4.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline?
The IUPAC name of 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline (CID 168583076) is 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline.
What is the SMILES notation for 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline?
The canonical SMILES for 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline is COc1ccc(Cl)c(NCc2cnc(Cl)s2)c1.
What is the InChIKey of 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline?
The InChIKey is HGCMIWORTNDMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c1-16-7-2-3-9(12)10(4-7)14-5-8-6-15-11(13)17-8/h2-4,6,14H,5H2,1H3.
What are the key properties of 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline?
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline has a molecular weight of 289.19 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline is sourced from PubChem (CID 168583076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).