2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine

C10H11BrN2S2 — CID 107354708

IUPAC2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC(CN)c1nc(-c2cc(Br)cs2)cs1
InChIInChI=1S/C10H11BrN2S2/c1-6(3-12)10-13-8(5-15-10)9-2-7(11)4-14-9/h2,4-6H,3,12H2,1H3
InChIKeyGATTXWQARZASHV-UHFFFAOYSA-N
MW303.25 g/mol
LogP3.70
Rot. Bonds3

About 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine

2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 107354708) has the molecular formula C10H11BrN2S2 and a molecular weight of 303.25 g/mol. Its IUPAC name is 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID107354708
Molecular FormulaC10H11BrN2S2
Molecular Weight303.25 g/mol
Exact Mass301.95
IUPAC Name2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC(CN)c1nc(-c2cc(Br)cs2)cs1
InChIInChI=1S/C10H11BrN2S2/c1-6(3-12)10-13-8(5-15-10)9-2-7(11)4-14-9/h2,4-6H,3,12H2,1H3
InChIKeyGATTXWQARZASHV-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol
CID 116967341
2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884597
2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62651320
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 62651876
[6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857651
4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
CID 107354715
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]ethanethiol
CID 116965991
1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine
CID 116969864
2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine
CID 62653135
3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965075
2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine
CID 82307623
2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine
CID 82488410

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine (CID 107354708) is 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine is CC(CN)c1nc(-c2cc(Br)cs2)cs1.
What is the InChIKey of 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is GATTXWQARZASHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S2/c1-6(3-12)10-13-8(5-15-10)9-2-7(11)4-14-9/h2,4-6H,3,12H2,1H3.
What are the key properties of 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 303.25 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 107354708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).