4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine

C11H11ClFN3S — CID 66076691

IUPAC4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
SMILESCC(Nc1cc(F)c(Cl)cc1N)c1nccs1
InChIInChI=1S/C11H11ClFN3S/c1-6(11-15-2-3-17-11)16-10-5-8(13)7(12)4-9(10)14/h2-6,16H,14H2,1H3
InChIKeyUZWHGMAUTKDNRZ-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.69
Rot. Bonds3

About 4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine

4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine (PubChem CID 66076691) has the molecular formula C11H11ClFN3S and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
PubChem CID66076691
Molecular FormulaC11H11ClFN3S
Molecular Weight271.75 g/mol
Exact Mass271.03
IUPAC Name4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
SMILESCC(Nc1cc(F)c(Cl)cc1N)c1nccs1
InChIInChI=1S/C11H11ClFN3S/c1-6(11-15-2-3-17-11)16-10-5-8(13)7(12)4-9(10)14/h2-6,16H,14H2,1H3
InChIKeyUZWHGMAUTKDNRZ-UHFFFAOYSA-N
XLogP3.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 83076313
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-benzodioxol-5-amine
CID 64993019
2-chloro-4-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993233
5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 103271867
6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 78946443
2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993154
7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 63613248
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990503
4-methyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
CID 79176056
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
methyl 4-fluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993515

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine (CID 66076691) is 4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine is CC(Nc1cc(F)c(Cl)cc1N)c1nccs1.
What is the InChIKey of 4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine?
The InChIKey is UZWHGMAUTKDNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3S/c1-6(11-15-2-3-17-11)16-10-5-8(13)7(12)4-9(10)14/h2-6,16H,14H2,1H3.
What are the key properties of 4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine?
4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine has a molecular weight of 271.75 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 66076691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).