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

C10H7Cl2FN2S — CID 168579575

IUPAC2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2cnc(Cl)s2)c(Cl)c1
InChIInChI=1S/C10H7Cl2FN2S/c11-8-3-6(13)1-2-9(8)14-4-7-5-15-10(12)16-7/h1-3,5,14H,4H2
InChIKeyIXAOFXAZOBNNDL-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.20
Rot. Bonds3

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

2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline (PubChem CID 168579575) has the molecular formula C10H7Cl2FN2S and a molecular weight of 277.15 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
PubChem CID168579575
Molecular FormulaC10H7Cl2FN2S
Molecular Weight277.15 g/mol
Exact Mass275.97
IUPAC Name2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2cnc(Cl)s2)c(Cl)c1
InChIInChI=1S/C10H7Cl2FN2S/c11-8-3-6(13)1-2-9(8)14-4-7-5-15-10(12)16-7/h1-3,5,14H,4H2
InChIKeyIXAOFXAZOBNNDL-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol
CID 168580346
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-chloro-4-fluoroaniline
CID 63120671
N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide
CID 168579813
2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline
CID 104921573
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-5-fluoroaniline
CID 168581269
[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenyl]-phenylmethanone
CID 168580202
2-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-1-N-(3-methoxypropyl)benzene-1,2-diamine
CID 168581737
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline
CID 168584069
3-bromo-2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168581043
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-fluoro-4-phenylaniline
CID 168582121

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline?
The IUPAC name of 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline (CID 168579575) is 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline?
The canonical SMILES for 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline is Fc1ccc(NCc2cnc(Cl)s2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline?
The InChIKey is IXAOFXAZOBNNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN2S/c11-8-3-6(13)1-2-9(8)14-4-7-5-15-10(12)16-7/h1-3,5,14H,4H2.
What are the key properties of 2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline?
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline has a molecular weight of 277.15 g/mol, XLogP of 4.20, 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]-4-fluoroaniline is sourced from PubChem (CID 168579575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).