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

C10H8ClFN2S — CID 83156953

IUPAC4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1nc(Cl)cs1)c1ccccc1F
InChIInChI=1S/C10H8ClFN2S/c1-14(10-13-9(11)6-15-10)8-5-3-2-4-7(8)12/h2-6H,1H3
InChIKeyZAADYYLZTJNPAH-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.70
Rot. Bonds2

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

4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 83156953) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID83156953
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC Name4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1nc(Cl)cs1)c1ccccc1F
InChIInChI=1S/C10H8ClFN2S/c1-14(10-13-9(11)6-15-10)8-5-3-2-4-7(8)12/h2-6H,1H3
InChIKeyZAADYYLZTJNPAH-UHFFFAOYSA-N
XLogP3.70
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 83156953) is 4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CN(c1nc(Cl)cs1)c1ccccc1F.
What is the InChIKey of 4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is ZAADYYLZTJNPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c1-14(10-13-9(11)6-15-10)8-5-3-2-4-7(8)12/h2-6H,1H3.
What are the key properties of 4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 242.71 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 83156953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).