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

C14H19BrN2S — CID 114177114

IUPACN-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1cc(Br)ccc1NC1=NC(C(C)C)CCS1
InChIInChI=1S/C14H19BrN2S/c1-9(2)12-6-7-18-14(16-12)17-13-5-4-11(15)8-10(13)3/h4-5,8-9,12H,6-7H2,1-3H3,(H,16,17)
InChIKeyLPKGGSBZXWEJFZ-UHFFFAOYSA-N
MW327.29 g/mol
LogP4.69
Rot. Bonds2

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

N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 114177114) has the molecular formula C14H19BrN2S and a molecular weight of 327.29 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID114177114
Molecular FormulaC14H19BrN2S
Molecular Weight327.29 g/mol
Exact Mass326.05
IUPAC NameN-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1cc(Br)ccc1NC1=NC(C(C)C)CCS1
InChIInChI=1S/C14H19BrN2S/c1-9(2)12-6-7-18-14(16-12)17-13-5-4-11(15)8-10(13)3/h4-5,8-9,12H,6-7H2,1-3H3,(H,16,17)
InChIKeyLPKGGSBZXWEJFZ-UHFFFAOYSA-N
XLogP4.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine with MolForge

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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351191
N-(2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177148
N-(5-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177135
N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114009788
4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
CID 106351686
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351151
(4S)-N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246372
4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351748
N-(2-methyl-4-nitrophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 18316074
N-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 114152526
(4S)-N-(4-bromo-5-fluoro-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114985894
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 103193509

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 114177114) is N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1cc(Br)ccc1NC1=NC(C(C)C)CCS1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is LPKGGSBZXWEJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2S/c1-9(2)12-6-7-18-14(16-12)17-13-5-4-11(15)8-10(13)3/h4-5,8-9,12H,6-7H2,1-3H3,(H,16,17).
What are the key properties of N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 327.29 g/mol, XLogP of 4.69, 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-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 114177114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).