2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine

C12H15BrN2S2 — CID 116967544

IUPAC2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine
SMILESCCC(CNC)c1nc(-c2ccc(Br)s2)cs1
InChIInChI=1S/C12H15BrN2S2/c1-3-8(6-14-2)12-15-9(7-16-12)10-4-5-11(13)17-10/h4-5,7-8,14H,3,6H2,1-2H3
InChIKeyMXWLCBMGDJHTGZ-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.35
Rot. Bonds5

About 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine

2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine (PubChem CID 116967544) has the molecular formula C12H15BrN2S2 and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine
PubChem CID116967544
Molecular FormulaC12H15BrN2S2
Molecular Weight331.30 g/mol
Exact Mass329.99
IUPAC Name2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine
SMILESCCC(CNC)c1nc(-c2ccc(Br)s2)cs1
InChIInChI=1S/C12H15BrN2S2/c1-3-8(6-14-2)12-15-9(7-16-12)10-4-5-11(13)17-10/h4-5,7-8,14H,3,6H2,1-2H3
InChIKeyMXWLCBMGDJHTGZ-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116967539
2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine
CID 116967565
[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol
CID 63346605
2-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]-N-methylbutan-1-amine
CID 116903422
1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 62652862
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
CID 116867951
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967248
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 61339170
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967305
2-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylbutan-1-amine
CID 116887353
2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride
CID 119696604
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967292

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine (CID 116967544) is 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine is CCC(CNC)c1nc(-c2ccc(Br)s2)cs1.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine?
The InChIKey is MXWLCBMGDJHTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2S2/c1-3-8(6-14-2)12-15-9(7-16-12)10-4-5-11(13)17-10/h4-5,7-8,14H,3,6H2,1-2H3.
What are the key properties of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine?
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine has a molecular weight of 331.30 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 116967544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).