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

C13H15BrN2S2 — CID 82969452

IUPAC1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Br)cc1Sc1nc(C)cs1
InChIInChI=1S/C13H15BrN2S2/c1-8-7-17-13(16-8)18-12-6-10(14)4-5-11(12)9(2)15-3/h4-7,9,15H,1-3H3
InChIKeyVNYDBVMPIMXPPM-UHFFFAOYSA-N
MW343.32 g/mol
LogP4.65
Rot. Bonds4

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

1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine (PubChem CID 82969452) has the molecular formula C13H15BrN2S2 and a molecular weight of 343.32 g/mol. Its IUPAC name is 1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine
PubChem CID82969452
Molecular FormulaC13H15BrN2S2
Molecular Weight343.32 g/mol
Exact Mass341.99
IUPAC Name1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Br)cc1Sc1nc(C)cs1
InChIInChI=1S/C13H15BrN2S2/c1-8-7-17-13(16-8)18-12-6-10(14)4-5-11(12)9(2)15-3/h4-7,9,15H,1-3H3
InChIKeyVNYDBVMPIMXPPM-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine
CID 82969605
1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine
CID 82969698
1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]-N-methylethanamine
CID 82969145
N-[[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 63806351
1-[4-bromo-2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylethanamine
CID 82969297
5-bromo-N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 114893517
1-[4-bromo-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-ethylethanamine
CID 82976134
N-[1-[3-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine
CID 63531992
1-[4-bromo-2-(7H-purin-6-ylsulfanyl)phenyl]-N-methylethanamine
CID 82954356
2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole
CID 79400180
2-[4-bromo-2-[1-(methylamino)ethyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 82969467
1-[4-bromo-2-(2-methylbutylsulfanyl)phenyl]-N-methylethanamine
CID 107750855

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine (CID 82969452) is 1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine is CNC(C)c1ccc(Br)cc1Sc1nc(C)cs1.
What is the InChIKey of 1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine?
The InChIKey is VNYDBVMPIMXPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S2/c1-8-7-17-13(16-8)18-12-6-10(14)4-5-11(12)9(2)15-3/h4-7,9,15H,1-3H3.
What are the key properties of 1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine?
1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine has a molecular weight of 343.32 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 82969452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).