N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine

C12H13BrCl2N2S — CID 64558420

IUPACN-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2c(Cl)cc(Br)cc2Cl)=N1
InChIInChI=1S/C12H13BrCl2N2S/c1-3-12(2)6-18-11(17-12)16-10-8(14)4-7(13)5-9(10)15/h4-5H,3,6H2,1-2H3,(H,16,17)
InChIKeyNYMQGSARBMIYOG-UHFFFAOYSA-N
MW368.13 g/mol
LogP5.44
Rot. Bonds2

About N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine

N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (PubChem CID 64558420) has the molecular formula C12H13BrCl2N2S and a molecular weight of 368.13 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
PubChem CID64558420
Molecular FormulaC12H13BrCl2N2S
Molecular Weight368.13 g/mol
Exact Mass365.94
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2c(Cl)cc(Br)cc2Cl)=N1
InChIInChI=1S/C12H13BrCl2N2S/c1-3-12(2)6-18-11(17-12)16-10-8(14)4-7(13)5-9(10)15/h4-5H,3,6H2,1-2H3,(H,16,17)
InChIKeyNYMQGSARBMIYOG-UHFFFAOYSA-N
XLogP5.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.13
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (CID 64558420) is N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is CCC1(C)CSC(Nc2c(Cl)cc(Br)cc2Cl)=N1.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The InChIKey is NYMQGSARBMIYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrCl2N2S/c1-3-12(2)6-18-11(17-12)16-10-8(14)4-7(13)5-9(10)15/h4-5H,3,6H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine has a molecular weight of 368.13 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 64558420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).