4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine

C11H10F2N2S — CID 60642208

IUPAC4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C11H10F2N2S/c1-2-14-11-15-10(6-16-11)8-4-3-7(12)5-9(8)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyPEBVWJBFQUVYBN-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.52
Rot. Bonds3

About 4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine

4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 60642208) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID60642208
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C11H10F2N2S/c1-2-14-11-15-10(6-16-11)8-4-3-7(12)5-9(8)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyPEBVWJBFQUVYBN-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine (CID 60642208) is 4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine is CCNc1nc(-c2ccc(F)cc2F)cs1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is PEBVWJBFQUVYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c1-2-14-11-15-10(6-16-11)8-4-3-7(12)5-9(8)13/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine?
4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 240.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 60642208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).