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

C12H12ClFN2S — CID 54883177

IUPAC5-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline
SMILESCCc1ncc(CNc2cc(Cl)ccc2F)s1
InChIInChI=1S/C12H12ClFN2S/c1-2-12-16-7-9(17-12)6-15-11-5-8(13)3-4-10(11)14/h3-5,7,15H,2,6H2,1H3
InChIKeyMJEBGXCYTVNYCH-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.11
Rot. Bonds4

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

5-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline (PubChem CID 54883177) has the molecular formula C12H12ClFN2S and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline
PubChem CID54883177
Molecular FormulaC12H12ClFN2S
Molecular Weight270.76 g/mol
Exact Mass270.04
IUPAC Name5-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline
SMILESCCc1ncc(CNc2cc(Cl)ccc2F)s1
InChIInChI=1S/C12H12ClFN2S/c1-2-12-16-7-9(17-12)6-15-11-5-8(13)3-4-10(11)14/h3-5,7,15H,2,6H2,1H3
InChIKeyMJEBGXCYTVNYCH-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline?
The IUPAC name of 5-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline (CID 54883177) is 5-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for 5-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline?
The canonical SMILES for 5-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline is CCc1ncc(CNc2cc(Cl)ccc2F)s1.
What is the InChIKey of 5-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline?
The InChIKey is MJEBGXCYTVNYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2S/c1-2-12-16-7-9(17-12)6-15-11-5-8(13)3-4-10(11)14/h3-5,7,15H,2,6H2,1H3.
What are the key properties of 5-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline?
5-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline has a molecular weight of 270.76 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 54883177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).