4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline

C15H9Cl2F2N3OS — CID 168582426

IUPAC4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline
SMILESFc1cc(Oc2ccnc(Cl)c2)c(F)cc1NCc1cnc(Cl)s1
InChIInChI=1S/C15H9Cl2F2N3OS/c16-14-3-8(1-2-20-14)23-13-5-10(18)12(4-11(13)19)21-6-9-7-22-15(17)24-9/h1-5,7,21H,6H2
InChIKeyATGCVPTYAVRJDH-UHFFFAOYSA-N
MW388.23 g/mol
LogP5.53
Rot. Bonds5

About 4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline

4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline (PubChem CID 168582426) has the molecular formula C15H9Cl2F2N3OS and a molecular weight of 388.23 g/mol. Its IUPAC name is 4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline.

Molecular Properties

Compound Name4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline
PubChem CID168582426
Molecular FormulaC15H9Cl2F2N3OS
Molecular Weight388.23 g/mol
Exact Mass386.98
IUPAC Name4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline
SMILESFc1cc(Oc2ccnc(Cl)c2)c(F)cc1NCc1cnc(Cl)s1
InChIInChI=1S/C15H9Cl2F2N3OS/c16-14-3-8(1-2-20-14)23-13-5-10(18)12(4-11(13)19)21-6-9-7-22-15(17)24-9/h1-5,7,21H,6H2
InChIKeyATGCVPTYAVRJDH-UHFFFAOYSA-N
XLogP5.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.23
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-methylaniline
CID 168581114
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(3-methylphenoxy)aniline
CID 168583963
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline
CID 168582121
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
2-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-4-iodoaniline
CID 168583459
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-naphthalen-2-yloxy-5-(trifluoromethyl)aniline
CID 168580972
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-5-fluoroaniline
CID 168581269
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-nitroaniline
CID 168584054
4-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-(2,2,2-trifluoroethoxy)aniline
CID 168581583
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol
CID 168580346
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(2,4-difluorophenoxy)-5-nitroaniline
CID 168581898

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline?
The IUPAC name of 4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline (CID 168582426) is 4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline.
What is the SMILES notation for 4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline?
The canonical SMILES for 4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline is Fc1cc(Oc2ccnc(Cl)c2)c(F)cc1NCc1cnc(Cl)s1.
What is the InChIKey of 4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline?
The InChIKey is ATGCVPTYAVRJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F2N3OS/c16-14-3-8(1-2-20-14)23-13-5-10(18)12(4-11(13)19)21-6-9-7-22-15(17)24-9/h1-5,7,21H,6H2.
What are the key properties of 4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline?
4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline has a molecular weight of 388.23 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-pyridinyl)oxy]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,5-difluoroaniline is sourced from PubChem (CID 168582426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).