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

C10H8ClFN2S — CID 60696679

IUPAC5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESFc1ccc(Cl)cc1NCc1cscn1
InChIInChI=1S/C10H8ClFN2S/c11-7-1-2-9(12)10(3-7)13-4-8-5-15-6-14-8/h1-3,5-6,13H,4H2
InChIKeyLENDLSCIBVUZEL-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.55
Rot. Bonds3

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

5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 60696679) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID60696679
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC Name5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESFc1ccc(Cl)cc1NCc1cscn1
InChIInChI=1S/C10H8ClFN2S/c11-7-1-2-9(12)10(3-7)13-4-8-5-15-6-14-8/h1-3,5-6,13H,4H2
InChIKeyLENDLSCIBVUZEL-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

4-chloro-2-N-(1,3-thiazol-4-ylmethyl)benzene-1,2-diamine
CID 115468994
2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60688792
2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107527417
N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61170227
3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687488
2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine
CID 63830940
3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 59740767
2-fluoro-4,5-dimethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 84595025
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-4-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 114089254
2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 104726418

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline (CID 60696679) is 5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline is Fc1ccc(Cl)cc1NCc1cscn1.
What is the InChIKey of 5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is LENDLSCIBVUZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c11-7-1-2-9(12)10(3-7)13-4-8-5-15-6-14-8/h1-3,5-6,13H,4H2.
What are the key properties of 5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
5-chloro-2-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 5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 60696679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).