1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C11H13BrN2S2 — CID 79594998

IUPAC1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1cscc1Br
InChIInChI=1S/C11H13BrN2S2/c1-7-4-16-11(14-7)3-10(13-2)8-5-15-6-9(8)12/h4-6,10,13H,3H2,1-2H3
InChIKeyOFCUFAGHVCOOQO-UHFFFAOYSA-N
MW317.28 g/mol
LogP3.78
Rot. Bonds4

About 1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 79594998) has the molecular formula C11H13BrN2S2 and a molecular weight of 317.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID79594998
Molecular FormulaC11H13BrN2S2
Molecular Weight317.28 g/mol
Exact Mass315.97
IUPAC Name1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(C)cs1)c1cscc1Br
InChIInChI=1S/C11H13BrN2S2/c1-7-4-16-11(14-7)3-10(13-2)8-5-15-6-9(8)12/h4-6,10,13H,3H2,1-2H3
InChIKeyOFCUFAGHVCOOQO-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromofuran-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106858291
1-(3-bromo-4-chlorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 113337124
1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019355
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethanamine
CID 62795850
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104686
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62796362
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62797395
1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine
CID 79595314
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105171443
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 65318322
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine
CID 105171422
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106645514

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 79594998) is 1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CNC(Cc1nc(C)cs1)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is OFCUFAGHVCOOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S2/c1-7-4-16-11(14-7)3-10(13-2)8-5-15-6-9(8)12/h4-6,10,13H,3H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 317.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 79594998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).