4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine

C9H5BrClFN2S — CID 79400357

IUPAC4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1c(Cl)cccc1Nc1nc(Br)cs1
InChIInChI=1S/C9H5BrClFN2S/c10-7-4-15-9(14-7)13-6-3-1-2-5(11)8(6)12/h1-4H,(H,13,14)
InChIKeyWYOMMZBCKICECV-UHFFFAOYSA-N
MW307.58 g/mol
LogP4.44
Rot. Bonds2

About 4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine

4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 79400357) has the molecular formula C9H5BrClFN2S and a molecular weight of 307.58 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID79400357
Molecular FormulaC9H5BrClFN2S
Molecular Weight307.58 g/mol
Exact Mass305.90
IUPAC Name4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1c(Cl)cccc1Nc1nc(Br)cs1
InChIInChI=1S/C9H5BrClFN2S/c10-7-4-15-9(14-7)13-6-3-1-2-5(11)8(6)12/h1-4H,(H,13,14)
InChIKeyWYOMMZBCKICECV-UHFFFAOYSA-N
XLogP4.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine (CID 79400357) is 4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine is Fc1c(Cl)cccc1Nc1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is WYOMMZBCKICECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClFN2S/c10-7-4-15-9(14-7)13-6-3-1-2-5(11)8(6)12/h1-4H,(H,13,14).
What are the key properties of 4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine?
4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 307.58 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79400357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).