N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine

C11H12Br2N2S2 — CID 102837273

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2cc(Br)c(Br)s2)s1
InChIInChI=1S/C11H12Br2N2S2/c1-6-4-15-11(16-6)7(2)14-5-8-3-9(12)10(13)17-8/h3-4,7,14H,5H2,1-2H3
InChIKeyLJNMAVHEUNSHBH-UHFFFAOYSA-N
MW396.17 g/mol
LogP4.89
Rot. Bonds4

About N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine

N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 102837273) has the molecular formula C11H12Br2N2S2 and a molecular weight of 396.17 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID102837273
Molecular FormulaC11H12Br2N2S2
Molecular Weight396.17 g/mol
Exact Mass393.88
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2cc(Br)c(Br)s2)s1
InChIInChI=1S/C11H12Br2N2S2/c1-6-4-15-11(16-6)7(2)14-5-8-3-9(12)10(13)17-8/h3-4,7,14H,5H2,1-2H3
InChIKeyLJNMAVHEUNSHBH-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.17
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783253
1-(5-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783254
N-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783255
N-[(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783256
(4-Bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783257
1-(4-bromothiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783258
N-[(4-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783259
N-[(4-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783260
N-[(3-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106785049
N-[(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106785160
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785832
N-[(4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106785948

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (CID 102837273) is N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is Cc1cnc(C(C)NCc2cc(Br)c(Br)s2)s1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is LJNMAVHEUNSHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2S2/c1-6-4-15-11(16-6)7(2)14-5-8-3-9(12)10(13)17-8/h3-4,7,14H,5H2,1-2H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 396.17 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 102837273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).