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

C10H8ClFN2S — CID 80717940

IUPAC4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N)n2)c(Cl)cc1F
InChIInChI=1S/C10H8ClFN2S/c1-5-2-6(7(11)3-8(5)12)9-4-15-10(13)14-9/h2-4H,1H3,(H2,13,14)
InChIKeyFWRGNVYOBVXRFV-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.49
Rot. Bonds1

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

4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 80717940) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine
PubChem CID80717940
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC Name4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N)n2)c(Cl)cc1F
InChIInChI=1S/C10H8ClFN2S/c1-5-2-6(7(11)3-8(5)12)9-4-15-10(13)14-9/h2-4H,1H3,(H2,13,14)
InChIKeyFWRGNVYOBVXRFV-UHFFFAOYSA-N
XLogP3.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine (CID 80717940) is 4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine is Cc1cc(-c2csc(N)n2)c(Cl)cc1F.
What is the InChIKey of 4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is FWRGNVYOBVXRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c1-5-2-6(7(11)3-8(5)12)9-4-15-10(13)14-9/h2-4H,1H3,(H2,13,14).
What are the key properties of 4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine?
4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 242.71 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 80717940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).