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

C15H21BrN2S — CID 106250889

IUPACN-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(Nc2ccc(C)c(Br)c2)SC1
InChIInChI=1S/C15H21BrN2S/c1-4-15(5-2)9-17-14(19-10-15)18-12-7-6-11(3)13(16)8-12/h6-8H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyAHXVBFDSUVUBQE-UHFFFAOYSA-N
MW341.32 g/mol
LogP5.08
Rot. Bonds3

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

N-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106250889) has the molecular formula C15H21BrN2S and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106250889
Molecular FormulaC15H21BrN2S
Molecular Weight341.32 g/mol
Exact Mass340.06
IUPAC NameN-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(Nc2ccc(C)c(Br)c2)SC1
InChIInChI=1S/C15H21BrN2S/c1-4-15(5-2)9-17-14(19-10-15)18-12-7-6-11(3)13(16)8-12/h6-8H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyAHXVBFDSUVUBQE-UHFFFAOYSA-N
XLogP5.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.32
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249954
N-(3-bromo-4-methylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967890
N-(2,6-dichloro-3-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249715
4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide
CID 106249819
N-(3-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250484
N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285273
N-(2-chloro-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250051
5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249763
5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249760
N-(2-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249725
(4S)-N-(3-bromo-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246393
1-[2-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 106250998

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 106250889) is N-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(Nc2ccc(C)c(Br)c2)SC1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is AHXVBFDSUVUBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2S/c1-4-15(5-2)9-17-14(19-10-15)18-12-7-6-11(3)13(16)8-12/h6-8H,4-5,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 341.32 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106250889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).