N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine

C10H7BrClFN2S — CID 107593321

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine
SMILESCc1cc(F)c(Br)cc1Nc1nc(Cl)cs1
InChIInChI=1S/C10H7BrClFN2S/c1-5-2-7(13)6(11)3-8(5)14-10-15-9(12)4-16-10/h2-4H,1H3,(H,14,15)
InChIKeyCNYACWYZEPTELK-UHFFFAOYSA-N
MW321.60 g/mol
LogP4.75
Rot. Bonds2

About N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine

N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine (PubChem CID 107593321) has the molecular formula C10H7BrClFN2S and a molecular weight of 321.60 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine
PubChem CID107593321
Molecular FormulaC10H7BrClFN2S
Molecular Weight321.60 g/mol
Exact Mass319.92
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine
SMILESCc1cc(F)c(Br)cc1Nc1nc(Cl)cs1
InChIInChI=1S/C10H7BrClFN2S/c1-5-2-7(13)6(11)3-8(5)14-10-15-9(12)4-16-10/h2-4H,1H3,(H,14,15)
InChIKeyCNYACWYZEPTELK-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine (CID 107593321) is N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine is Cc1cc(F)c(Br)cc1Nc1nc(Cl)cs1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine?
The InChIKey is CNYACWYZEPTELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN2S/c1-5-2-7(13)6(11)3-8(5)14-10-15-9(12)4-16-10/h2-4H,1H3,(H,14,15).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine?
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine has a molecular weight of 321.60 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine is sourced from PubChem (CID 107593321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).