2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine

C12H13BrN2S2 — CID 66145276

IUPAC2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(CSc2ccccc2Br)n1
InChIInChI=1S/C12H13BrN2S2/c13-10-3-1-2-4-11(10)16-8-12-15-9(5-6-14)7-17-12/h1-4,7H,5-6,8,14H2
InChIKeyONWRQQZSTDRLHR-UHFFFAOYSA-N
MW329.29 g/mol
LogP3.70
Rot. Bonds5

About 2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine

2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 66145276) has the molecular formula C12H13BrN2S2 and a molecular weight of 329.29 g/mol. Its IUPAC name is 2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID66145276
Molecular FormulaC12H13BrN2S2
Molecular Weight329.29 g/mol
Exact Mass327.97
IUPAC Name2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(CSc2ccccc2Br)n1
InChIInChI=1S/C12H13BrN2S2/c13-10-3-1-2-4-11(10)16-8-12-15-9(5-6-14)7-17-12/h1-4,7H,5-6,8,14H2
InChIKeyONWRQQZSTDRLHR-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromophenyl)sulfanylmethyl]-4-(chloromethyl)-1,3-thiazole
CID 66142867
1-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 66142930
methyl 3-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]propanoate
CID 107039787
2-[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine
CID 66159845
1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 66051369
2-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 62928440
[2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 114361816
4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine
CID 28711493
3-bromo-4-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 82840747
[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66143050
3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol
CID 115087624
2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine
CID 114057620

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine (CID 66145276) is 2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine is NCCc1csc(CSc2ccccc2Br)n1.
What is the InChIKey of 2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is ONWRQQZSTDRLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S2/c13-10-3-1-2-4-11(10)16-8-12-15-9(5-6-14)7-17-12/h1-4,7H,5-6,8,14H2.
What are the key properties of 2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 329.29 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 66145276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).