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

C11H10BrClN2S — CID 82774650

IUPAC4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2ccc(Br)cc2Cl)cs1
InChIInChI=1S/C11H10BrClN2S/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)
InChIKeyMFERNUMQEVOVRW-UHFFFAOYSA-N
MW317.64 g/mol
LogP4.66
Rot. Bonds3

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

4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 82774650) has the molecular formula C11H10BrClN2S and a molecular weight of 317.64 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID82774650
Molecular FormulaC11H10BrClN2S
Molecular Weight317.64 g/mol
Exact Mass315.94
IUPAC Name4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2ccc(Br)cc2Cl)cs1
InChIInChI=1S/C11H10BrClN2S/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)
InChIKeyMFERNUMQEVOVRW-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.64
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine (CID 82774650) is 4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine is CCNc1nc(-c2ccc(Br)cc2Cl)cs1.
What is the InChIKey of 4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is MFERNUMQEVOVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2S/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-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine?
4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 317.64 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82774650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).