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

C11H13BrN2S — CID 29068137

IUPACN-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1cc(NC2=NCCCS2)ccc1Br
InChIInChI=1S/C11H13BrN2S/c1-8-7-9(3-4-10(8)12)14-11-13-5-2-6-15-11/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyPXRFPDZXBBHPQA-UHFFFAOYSA-N
MW285.21 g/mol
LogP3.66
Rot. Bonds1

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

N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 29068137) has the molecular formula C11H13BrN2S and a molecular weight of 285.21 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID29068137
Molecular FormulaC11H13BrN2S
Molecular Weight285.21 g/mol
Exact Mass284.00
IUPAC NameN-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1cc(NC2=NCCCS2)ccc1Br
InChIInChI=1S/C11H13BrN2S/c1-8-7-9(3-4-10(8)12)14-11-13-5-2-6-15-11/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyPXRFPDZXBBHPQA-UHFFFAOYSA-N
XLogP3.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107614115
4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 17338742
N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 81275151
N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 28878465
N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345498
N-(4-bromo-3-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492360
N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 7303198
N-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107589103
(E)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]-3-(2,4-dimethylphenyl)prop-2-en-1-one
CID 8685723
N-(3-bromo-4-methylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967890
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610
N-(3,4-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068216

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 29068137) is N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1cc(NC2=NCCCS2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is PXRFPDZXBBHPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S/c1-8-7-9(3-4-10(8)12)14-11-13-5-2-6-15-11/h3-4,7H,2,5-6H2,1H3,(H,13,14).
What are the key properties of N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 285.21 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 29068137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).