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

C12H10ClFN2S — CID 81166723

IUPAC4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine
SMILESNc1sc(C2CC2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H10ClFN2S/c13-8-5-7(3-4-9(8)14)10-11(15)17-12(16-10)6-1-2-6/h3-6H,1-2,15H2
InChIKeyLPRFEEVZGIYWOR-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.06
Rot. Bonds2

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

4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine (PubChem CID 81166723) has the molecular formula C12H10ClFN2S and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine
PubChem CID81166723
Molecular FormulaC12H10ClFN2S
Molecular Weight268.74 g/mol
Exact Mass268.02
IUPAC Name4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine
SMILESNc1sc(C2CC2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H10ClFN2S/c13-8-5-7(3-4-9(8)14)10-11(15)17-12(16-10)6-1-2-6/h3-6H,1-2,15H2
InChIKeyLPRFEEVZGIYWOR-UHFFFAOYSA-N
XLogP4.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine (CID 81166723) is 4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine is Nc1sc(C2CC2)nc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine?
The InChIKey is LPRFEEVZGIYWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2S/c13-8-5-7(3-4-9(8)14)10-11(15)17-12(16-10)6-1-2-6/h3-6H,1-2,15H2.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine?
4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine has a molecular weight of 268.74 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,3-thiazol-5-amine is sourced from PubChem (CID 81166723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).