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

C13H15BrClFN2S — CID 106352330

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(Nc2c(Cl)cc(F)cc2Br)=N1
InChIInChI=1S/C13H15BrClFN2S/c1-7(2)11-3-4-19-13(17-11)18-12-9(14)5-8(16)6-10(12)15/h5-7,11H,3-4H2,1-2H3,(H,17,18)
InChIKeyZXEKMPXGIAQXKQ-UHFFFAOYSA-N
MW365.70 g/mol
LogP5.17
Rot. Bonds2

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

N-(2-bromo-6-chloro-4-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106352330) has the molecular formula C13H15BrClFN2S and a molecular weight of 365.70 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106352330
Molecular FormulaC13H15BrClFN2S
Molecular Weight365.70 g/mol
Exact Mass363.98
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(Nc2c(Cl)cc(F)cc2Br)=N1
InChIInChI=1S/C13H15BrClFN2S/c1-7(2)11-3-4-19-13(17-11)18-12-9(14)5-8(16)6-10(12)15/h5-7,11H,3-4H2,1-2H3,(H,17,18)
InChIKeyZXEKMPXGIAQXKQ-UHFFFAOYSA-N
XLogP5.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.70
LogP ≤ 55.17
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)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106352330) is N-(2-bromo-6-chloro-4-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)C1CCSC(Nc2c(Cl)cc(F)cc2Br)=N1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is ZXEKMPXGIAQXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClFN2S/c1-7(2)11-3-4-19-13(17-11)18-12-9(14)5-8(16)6-10(12)15/h5-7,11H,3-4H2,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 365.70 g/mol, XLogP of 5.17, 2 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)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106352330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).