2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline

C12H11Cl2FN2S — CID 83078204

IUPAC2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
SMILESCCc1ncc(CNc2c(Cl)cc(F)cc2Cl)s1
InChIInChI=1S/C12H11Cl2FN2S/c1-2-11-16-5-8(18-11)6-17-12-9(13)3-7(15)4-10(12)14/h3-5,17H,2,6H2,1H3
InChIKeyWTXGTGCUJQVNNE-UHFFFAOYSA-N
MW305.21 g/mol
LogP4.76
Rot. Bonds4

About 2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline

2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline (PubChem CID 83078204) has the molecular formula C12H11Cl2FN2S and a molecular weight of 305.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
PubChem CID83078204
Molecular FormulaC12H11Cl2FN2S
Molecular Weight305.21 g/mol
Exact Mass304.00
IUPAC Name2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
SMILESCCc1ncc(CNc2c(Cl)cc(F)cc2Cl)s1
InChIInChI=1S/C12H11Cl2FN2S/c1-2-11-16-5-8(18-11)6-17-12-9(13)3-7(15)4-10(12)14/h3-5,17H,2,6H2,1H3
InChIKeyWTXGTGCUJQVNNE-UHFFFAOYSA-N
XLogP4.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline?
The IUPAC name of 2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline (CID 83078204) is 2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline?
The canonical SMILES for 2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline is CCc1ncc(CNc2c(Cl)cc(F)cc2Cl)s1.
What is the InChIKey of 2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline?
The InChIKey is WTXGTGCUJQVNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2FN2S/c1-2-11-16-5-8(18-11)6-17-12-9(13)3-7(15)4-10(12)14/h3-5,17H,2,6H2,1H3.
What are the key properties of 2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline?
2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline has a molecular weight of 305.21 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline is sourced from PubChem (CID 83078204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).