1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C11H13BrN2S2 — CID 61281995

IUPAC1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNC(C)c2sccc2Br)s1
InChIInChI=1S/C11H13BrN2S2/c1-7(11-10(12)3-4-15-11)13-5-9-6-14-8(2)16-9/h3-4,6-7,13H,5H2,1-2H3
InChIKeyBOEBSMLAGYKZRI-UHFFFAOYSA-N
MW317.28 g/mol
LogP4.13
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 61281995) has the molecular formula C11H13BrN2S2 and a molecular weight of 317.28 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID61281995
Molecular FormulaC11H13BrN2S2
Molecular Weight317.28 g/mol
Exact Mass315.97
IUPAC Name1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNC(C)c2sccc2Br)s1
InChIInChI=1S/C11H13BrN2S2/c1-7(11-10(12)3-4-15-11)13-5-9-6-14-8(2)16-9/h3-4,6-7,13H,5H2,1-2H3
InChIKeyBOEBSMLAGYKZRI-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 61012571
(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81379629
1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284444
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-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55057431
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 61282963
1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981561
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60776659
5-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenol
CID 63067998
4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
CID 66092233
1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281399

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 61281995) is 1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1ncc(CNC(C)c2sccc2Br)s1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is BOEBSMLAGYKZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S2/c1-7(11-10(12)3-4-15-11)13-5-9-6-14-8(2)16-9/h3-4,6-7,13H,5H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 317.28 g/mol, XLogP of 4.13, 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-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 61281995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).