1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine

C10H10BrClN2S2 — CID 102843629

IUPAC1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2cc(Br)c(Cl)s2)s1
InChIInChI=1S/C10H10BrClN2S2/c1-5(13-2)8-4-14-10(16-8)7-3-6(11)9(12)15-7/h3-5,13H,1-2H3
InChIKeyXSSYWGUFEPNHJJ-UHFFFAOYSA-N
MW337.70 g/mol
LogP4.57
Rot. Bonds3

About 1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 102843629) has the molecular formula C10H10BrClN2S2 and a molecular weight of 337.70 g/mol. Its IUPAC name is 1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID102843629
Molecular FormulaC10H10BrClN2S2
Molecular Weight337.70 g/mol
Exact Mass335.92
IUPAC Name1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2cc(Br)c(Cl)s2)s1
InChIInChI=1S/C10H10BrClN2S2/c1-5(13-2)8-4-14-10(16-8)7-3-6(11)9(12)15-7/h3-5,13H,1-2H3
InChIKeyXSSYWGUFEPNHJJ-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.70
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 107125231
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62651174
N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653566
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115960174
N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine
CID 104823163
1-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 81277555
(1S)-1-(3-bromo-5-chloro-2-pyridinyl)-N-methylethanamine
CID 130737820
N-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 66130511
1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62653754
N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 66161070
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62652298

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 102843629) is 1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1cnc(-c2cc(Br)c(Cl)s2)s1.
What is the InChIKey of 1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is XSSYWGUFEPNHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2S2/c1-5(13-2)8-4-14-10(16-8)7-3-6(11)9(12)15-7/h3-5,13H,1-2H3.
What are the key properties of 1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 337.70 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 102843629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).