1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

C10H11BrN2S2 — CID 61284444

IUPAC1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCC(NCc1nccs1)c1sccc1Br
InChIInChI=1S/C10H11BrN2S2/c1-7(10-8(11)2-4-15-10)13-6-9-12-3-5-14-9/h2-5,7,13H,6H2,1H3
InChIKeyZZLHEKHAESOVFP-UHFFFAOYSA-N
MW303.25 g/mol
LogP3.82
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 61284444) has the molecular formula C10H11BrN2S2 and a molecular weight of 303.25 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID61284444
Molecular FormulaC10H11BrN2S2
Molecular Weight303.25 g/mol
Exact Mass301.95
IUPAC Name1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCC(NCc1nccs1)c1sccc1Br
InChIInChI=1S/C10H11BrN2S2/c1-7(10-8(11)2-4-15-10)13-6-9-12-3-5-14-9/h2-5,7,13H,6H2,1H3
InChIKeyZZLHEKHAESOVFP-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43769411
1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63829492
1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281995
(1S)-1-(3-bromophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81380969
1-(2-bromo-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 103778187
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357
1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285618
1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 61012571
1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981561
1-(3-bromothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55057431
5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol
CID 107706299
(1S)-1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81353359

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 61284444) is 1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is CC(NCc1nccs1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is ZZLHEKHAESOVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S2/c1-7(10-8(11)2-4-15-10)13-6-9-12-3-5-14-9/h2-5,7,13H,6H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 303.25 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 61284444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).