[2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine

C11H11BrN2S2 — CID 114884648

IUPAC[2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1csc(Sc2cccc(Br)c2CN)n1
InChIInChI=1S/C11H11BrN2S2/c1-7-6-15-11(14-7)16-10-4-2-3-9(12)8(10)5-13/h2-4,6H,5,13H2,1H3
InChIKeyLKCAGLMKPLTFGU-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.82
Rot. Bonds3

About [2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine

[2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine (PubChem CID 114884648) has the molecular formula C11H11BrN2S2 and a molecular weight of 315.26 g/mol. Its IUPAC name is [2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
PubChem CID114884648
Molecular FormulaC11H11BrN2S2
Molecular Weight315.26 g/mol
Exact Mass313.95
IUPAC Name[2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1csc(Sc2cccc(Br)c2CN)n1
InChIInChI=1S/C11H11BrN2S2/c1-7-6-15-11(14-7)16-10-4-2-3-9(12)8(10)5-13/h2-4,6H,5,13H2,1H3
InChIKeyLKCAGLMKPLTFGU-UHFFFAOYSA-N
XLogP3.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
CID 62497494
3-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]aniline
CID 43349846
[2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine
CID 114884661
[2-bromo-6-(4-tert-butylphenyl)sulfanylphenyl]methanamine
CID 114884650
N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
CID 55238292
2-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile
CID 104717521
2-[5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 114057613
2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole
CID 79400180
[5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine
CID 61095837
[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
CID 63883545
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzonitrile
CID 28602391
N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 63806182

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine?
The IUPAC name of [2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine (CID 114884648) is [2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine.
What is the SMILES notation for [2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine?
The canonical SMILES for [2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine is Cc1csc(Sc2cccc(Br)c2CN)n1.
What is the InChIKey of [2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine?
The InChIKey is LKCAGLMKPLTFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S2/c1-7-6-15-11(14-7)16-10-4-2-3-9(12)8(10)5-13/h2-4,6H,5,13H2,1H3.
What are the key properties of [2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine?
[2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine has a molecular weight of 315.26 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine is sourced from PubChem (CID 114884648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).