2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline

C10H8ClFN2S — CID 107527417

IUPAC2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESFc1ccc(Cl)c(NCc2cscn2)c1
InChIInChI=1S/C10H8ClFN2S/c11-9-2-1-7(12)3-10(9)13-4-8-5-15-6-14-8/h1-3,5-6,13H,4H2
InChIKeyPYRWNXOSLFIBJQ-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.55
Rot. Bonds3

About 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline

2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 107527417) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID107527417
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC Name2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESFc1ccc(Cl)c(NCc2cscn2)c1
InChIInChI=1S/C10H8ClFN2S/c11-9-2-1-7(12)3-10(9)13-4-8-5-15-6-14-8/h1-3,5-6,13H,4H2
InChIKeyPYRWNXOSLFIBJQ-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696679
5-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55261426
2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 107527302
2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 104726418
2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 83081963
2-chloro-4-iodo-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169264
5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine
CID 171644777
4-chloro-2-N-(1,3-thiazol-4-ylmethyl)benzene-1,2-diamine
CID 115468994
2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103478131
2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine
CID 63830940
2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60688792
2-chloro-5-(1,3-thiazol-4-ylmethylamino)benzonitrile
CID 60721480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline (CID 107527417) is 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline is Fc1ccc(Cl)c(NCc2cscn2)c1.
What is the InChIKey of 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is PYRWNXOSLFIBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c11-9-2-1-7(12)3-10(9)13-4-8-5-15-6-14-8/h1-3,5-6,13H,4H2.
What are the key properties of 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 242.71 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 107527417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).