4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine

C10H8ClFN2S — CID 118641332

IUPAC4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc(Cl)cc(CF)c2)cs1
InChIInChI=1S/C10H8ClFN2S/c11-8-2-6(4-12)1-7(3-8)9-5-15-10(13)14-9/h1-3,5H,4H2,(H2,13,14)
InChIKeyHUIWMGUJUODIGC-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.52
Rot. Bonds2

About 4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine

4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 118641332) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID118641332
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC Name4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc(Cl)cc(CF)c2)cs1
InChIInChI=1S/C10H8ClFN2S/c11-8-2-6(4-12)1-7(3-8)9-5-15-10(13)14-9/h1-3,5H,4H2,(H2,13,14)
InChIKeyHUIWMGUJUODIGC-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 118641332) is 4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2cc(Cl)cc(CF)c2)cs1.
What is the InChIKey of 4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is HUIWMGUJUODIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c11-8-2-6(4-12)1-7(3-8)9-5-15-10(13)14-9/h1-3,5H,4H2,(H2,13,14).
What are the key properties of 4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 242.71 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(fluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118641332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).