N-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine

C14H17BrClFN2S — CID 106251780

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(Nc2c(Cl)cc(F)cc2Br)SC1
InChIInChI=1S/C14H17BrClFN2S/c1-3-14(4-2)7-18-13(20-8-14)19-12-10(15)5-9(17)6-11(12)16/h5-6H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyPCFPNGILGJCTCM-UHFFFAOYSA-N
MW379.73 g/mol
LogP5.56
Rot. Bonds3

About N-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine

N-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106251780) has the molecular formula C14H17BrClFN2S and a molecular weight of 379.73 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106251780
Molecular FormulaC14H17BrClFN2S
Molecular Weight379.73 g/mol
Exact Mass378.00
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(Nc2c(Cl)cc(F)cc2Br)SC1
InChIInChI=1S/C14H17BrClFN2S/c1-3-14(4-2)7-18-13(20-8-14)19-12-10(15)5-9(17)6-11(12)16/h5-6H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyPCFPNGILGJCTCM-UHFFFAOYSA-N
XLogP5.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.73
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 106251780) is N-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(Nc2c(Cl)cc(F)cc2Br)SC1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is PCFPNGILGJCTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClFN2S/c1-3-14(4-2)7-18-13(20-8-14)19-12-10(15)5-9(17)6-11(12)16/h5-6H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 379.73 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106251780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).