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

C11H10ClFN2OS — CID 168579962

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methoxyaniline
SMILESCOc1ccc(F)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C11H10ClFN2OS/c1-16-7-2-3-9(13)10(4-7)14-5-8-6-15-11(12)17-8/h2-4,6,14H,5H2,1H3
InChIKeyGIFXHVSJDAGORV-UHFFFAOYSA-N
MW272.73 g/mol
LogP3.56
Rot. Bonds4

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methoxyaniline (PubChem CID 168579962) has the molecular formula C11H10ClFN2OS and a molecular weight of 272.73 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methoxyaniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methoxyaniline
PubChem CID168579962
Molecular FormulaC11H10ClFN2OS
Molecular Weight272.73 g/mol
Exact Mass272.02
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methoxyaniline
SMILESCOc1ccc(F)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C11H10ClFN2OS/c1-16-7-2-3-9(13)10(4-7)14-5-8-6-15-11(12)17-8/h2-4,6,14H,5H2,1H3
InChIKeyGIFXHVSJDAGORV-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methoxyaniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methoxyaniline (CID 168579962) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methoxyaniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methoxyaniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methoxyaniline is COc1ccc(F)c(NCc2cnc(Cl)s2)c1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methoxyaniline?
The InChIKey is GIFXHVSJDAGORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2OS/c1-16-7-2-3-9(13)10(4-7)14-5-8-6-15-11(12)17-8/h2-4,6,14H,5H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methoxyaniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methoxyaniline has a molecular weight of 272.73 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-5-methoxyaniline is sourced from PubChem (CID 168579962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).