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

C10H7Cl2FN2S — CID 104879426

IUPAC3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline
SMILESFc1cc(Cl)cc(NCc2ncc(Cl)s2)c1
InChIInChI=1S/C10H7Cl2FN2S/c11-6-1-7(13)3-8(2-6)14-5-10-15-4-9(12)16-10/h1-4,14H,5H2
InChIKeyWOJDVSLDWLVGCL-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.20
Rot. Bonds3

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

3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline (PubChem CID 104879426) has the molecular formula C10H7Cl2FN2S and a molecular weight of 277.15 g/mol. Its IUPAC name is 3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline
PubChem CID104879426
Molecular FormulaC10H7Cl2FN2S
Molecular Weight277.15 g/mol
Exact Mass275.97
IUPAC Name3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline
SMILESFc1cc(Cl)cc(NCc2ncc(Cl)s2)c1
InChIInChI=1S/C10H7Cl2FN2S/c11-6-1-7(13)3-8(2-6)14-5-10-15-4-9(12)16-10/h1-4,14H,5H2
InChIKeyWOJDVSLDWLVGCL-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

3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 104921789
2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline
CID 104921573
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline
CID 104921572
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 104877929
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline
CID 104878720
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline
CID 107364885
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine
CID 104877930
3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline
CID 107364179
3-chloro-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 115743708
3-chloro-5-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 107364381

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline?
The IUPAC name of 3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline (CID 104879426) is 3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline is Fc1cc(Cl)cc(NCc2ncc(Cl)s2)c1.
What is the InChIKey of 3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline?
The InChIKey is WOJDVSLDWLVGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN2S/c11-6-1-7(13)3-8(2-6)14-5-10-15-4-9(12)16-10/h1-4,14H,5H2.
What are the key properties of 3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline?
3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-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 3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline is sourced from PubChem (CID 104879426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).