2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline

C10H6Cl2F2N2S — CID 168583939

IUPAC2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline
SMILESFc1ccc(F)c(NCc2cnc(Cl)s2)c1Cl
InChIInChI=1S/C10H6Cl2F2N2S/c11-8-6(13)1-2-7(14)9(8)15-3-5-4-16-10(12)17-5/h1-2,4,15H,3H2
InChIKeyWKABDNLOFFCGRW-UHFFFAOYSA-N
MW295.14 g/mol
LogP4.34
Rot. Bonds3

About 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline

2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline (PubChem CID 168583939) has the molecular formula C10H6Cl2F2N2S and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline
PubChem CID168583939
Molecular FormulaC10H6Cl2F2N2S
Molecular Weight295.14 g/mol
Exact Mass293.96
IUPAC Name2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline
SMILESFc1ccc(F)c(NCc2cnc(Cl)s2)c1Cl
InChIInChI=1S/C10H6Cl2F2N2S/c11-8-6(13)1-2-7(14)9(8)15-3-5-4-16-10(12)17-5/h1-2,4,15H,3H2
InChIKeyWKABDNLOFFCGRW-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide
CID 168581306
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenyl]ethanone
CID 168580633
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3,5-difluorobenzenethiol
CID 168583445
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-6-fluoro-3-(trifluoromethyl)benzonitrile
CID 168582578
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-6-pentan-3-yloxyaniline
CID 168582652
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,4-difluoro-3-(trifluoromethyl)aniline
CID 168580126
5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol
CID 168584289
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline
CID 168580395
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
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-nitroaniline
CID 168584054
2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941776

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline?
The IUPAC name of 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline (CID 168583939) is 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline.
What is the SMILES notation for 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline?
The canonical SMILES for 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline is Fc1ccc(F)c(NCc2cnc(Cl)s2)c1Cl.
What is the InChIKey of 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline?
The InChIKey is WKABDNLOFFCGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F2N2S/c11-8-6(13)1-2-7(14)9(8)15-3-5-4-16-10(12)17-5/h1-2,4,15H,3H2.
What are the key properties of 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline?
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline has a molecular weight of 295.14 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline is sourced from PubChem (CID 168583939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).