N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

C11H15BrN2S2 — CID 115361676

IUPACN-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCc2cc(Br)cs2)SC1
InChIInChI=1S/C11H15BrN2S2/c1-11(2)6-14-10(16-7-11)13-4-9-3-8(12)5-15-9/h3,5H,4,6-7H2,1-2H3,(H,13,14)
InChIKeyQQJPRFDTFZNXIM-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.73
Rot. Bonds2

About N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361676) has the molecular formula C11H15BrN2S2 and a molecular weight of 319.29 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361676
Molecular FormulaC11H15BrN2S2
Molecular Weight319.29 g/mol
Exact Mass317.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCc2cc(Br)cs2)SC1
InChIInChI=1S/C11H15BrN2S2/c1-11(2)6-14-10(16-7-11)13-4-9-3-8(12)5-15-9/h3,5H,4,6-7H2,1-2H3,(H,13,14)
InChIKeyQQJPRFDTFZNXIM-UHFFFAOYSA-N
XLogP3.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine with MolForge

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Related Compounds

N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 113294190
5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361492
5,5-dimethyl-N-(2-thiophen-2-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115361150
N-(4-bromo-2,6-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 113294326
N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79503527
3-N-[(4-bromothiophen-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66277551
3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide
CID 115361264
N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362665
N-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine
CID 106575655
1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol
CID 43392242
N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 113292960
4-N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80836890

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 115361676) is N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(NCc2cc(Br)cs2)SC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is QQJPRFDTFZNXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S2/c1-11(2)6-14-10(16-7-11)13-4-9-3-8(12)5-15-9/h3,5H,4,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 319.29 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).