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

C10H11BrN2S2 — CID 62652862

IUPAC1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nc(-c2ccc(Br)s2)cs1
InChIInChI=1S/C10H11BrN2S2/c1-6(12)4-10-13-7(5-14-10)8-2-3-9(11)15-8/h2-3,5-6H,4,12H2,1H3
InChIKeyUOCLSZUAMGMZGZ-UHFFFAOYSA-N
MW303.25 g/mol
LogP3.52
Rot. Bonds3

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

1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine (PubChem CID 62652862) has the molecular formula C10H11BrN2S2 and a molecular weight of 303.25 g/mol. Its IUPAC name is 1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
PubChem CID62652862
Molecular FormulaC10H11BrN2S2
Molecular Weight303.25 g/mol
Exact Mass301.95
IUPAC Name1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nc(-c2ccc(Br)s2)cs1
InChIInChI=1S/C10H11BrN2S2/c1-6(12)4-10-13-7(5-14-10)8-2-3-9(11)15-8/h2-3,5-6H,4,12H2,1H3
InChIKeyUOCLSZUAMGMZGZ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 62653042
1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62653588
1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine
CID 116897913
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62653041
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62652676
2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol
CID 82117281
1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115086566
4-(5-bromothiophen-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 55084863
2-ethyl-4-(5-methylthiophen-2-yl)-1,3-thiazole
CID 130157214
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine
CID 116967544
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 62645718
1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine
CID 62652679

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine?
The IUPAC name of 1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine (CID 62652862) is 1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine is CC(N)Cc1nc(-c2ccc(Br)s2)cs1.
What is the InChIKey of 1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine?
The InChIKey is UOCLSZUAMGMZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S2/c1-6(12)4-10-13-7(5-14-10)8-2-3-9(11)15-8/h2-3,5-6H,4,12H2,1H3.
What are the key properties of 1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine?
1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine has a molecular weight of 303.25 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine is sourced from PubChem (CID 62652862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).