4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine

C11H10ClFN2S — CID 62082901

IUPAC4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine
SMILESCCc1nc(-c2c(F)cccc2Cl)c(N)s1
InChIInChI=1S/C11H10ClFN2S/c1-2-8-15-10(11(14)16-8)9-6(12)4-3-5-7(9)13/h3-5H,2,14H2,1H3
InChIKeyOOTRNLYJTJIVAA-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.75
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine

4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine (PubChem CID 62082901) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine
PubChem CID62082901
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine
SMILESCCc1nc(-c2c(F)cccc2Cl)c(N)s1
InChIInChI=1S/C11H10ClFN2S/c1-2-8-15-10(11(14)16-8)9-6(12)4-3-5-7(9)13/h3-5H,2,14H2,1H3
InChIKeyOOTRNLYJTJIVAA-UHFFFAOYSA-N
XLogP3.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine (CID 62082901) is 4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine is CCc1nc(-c2c(F)cccc2Cl)c(N)s1.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine?
The InChIKey is OOTRNLYJTJIVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-2-8-15-10(11(14)16-8)9-6(12)4-3-5-7(9)13/h3-5H,2,14H2,1H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine?
4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine has a molecular weight of 256.73 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine is sourced from PubChem (CID 62082901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).