N-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

C10H10ClFN2S — CID 43440098

IUPACN-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(Nc2ccc(F)cc2Cl)=N1
InChIInChI=1S/C10H10ClFN2S/c1-6-5-15-10(13-6)14-9-3-2-7(12)4-8(9)11/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyQGVKOJBLUFDVSY-UHFFFAOYSA-N
MW244.72 g/mol
LogP3.38
Rot. Bonds1

About N-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43440098) has the molecular formula C10H10ClFN2S and a molecular weight of 244.72 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43440098
Molecular FormulaC10H10ClFN2S
Molecular Weight244.72 g/mol
Exact Mass244.02
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(Nc2ccc(F)cc2Cl)=N1
InChIInChI=1S/C10H10ClFN2S/c1-6-5-15-10(13-6)14-9-3-2-7(12)4-8(9)11/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyQGVKOJBLUFDVSY-UHFFFAOYSA-N
XLogP3.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43440098) is N-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CSC(Nc2ccc(F)cc2Cl)=N1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QGVKOJBLUFDVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2S/c1-6-5-15-10(13-6)14-9-3-2-7(12)4-8(9)11/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 244.72 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43440098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).