1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine

C12H14BrN5S — CID 63815377

IUPAC1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1c(-n2cc(Br)cn2)nc2sccn12
InChIInChI=1S/C12H14BrN5S/c1-2-9(14)5-10-11(18-7-8(13)6-15-18)16-12-17(10)3-4-19-12/h3-4,6-7,9H,2,5,14H2,1H3
InChIKeyPYQRPUSSJVJFHC-UHFFFAOYSA-N
MW340.25 g/mol
LogP2.62
Rot. Bonds4

About 1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine

1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine (PubChem CID 63815377) has the molecular formula C12H14BrN5S and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
PubChem CID63815377
Molecular FormulaC12H14BrN5S
Molecular Weight340.25 g/mol
Exact Mass339.02
IUPAC Name1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1c(-n2cc(Br)cn2)nc2sccn12
InChIInChI=1S/C12H14BrN5S/c1-2-9(14)5-10-11(18-7-8(13)6-15-18)16-12-17(10)3-4-19-12/h3-4,6-7,9H,2,5,14H2,1H3
InChIKeyPYQRPUSSJVJFHC-UHFFFAOYSA-N
XLogP2.62
TPSA61.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63816427
1-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 79183887
1-[6-(4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63785740
1-[5-(2-aminobutyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63795058
5-(2-aminobutyl)-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 55234864
1-[6-(2,4-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63795542
1-[6-(1,4-oxazepan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63794903
1-[2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63815908
5-(2-aminobutyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63816546
5-(2-aminobutyl)-N-(cyclopropylmethyl)-N-ethylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63941095
1-(6-piperidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-amine
CID 63785604
1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]butan-2-amine
CID 114066107

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
The IUPAC name of 1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine (CID 63815377) is 1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine.
What is the SMILES notation for 1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
The canonical SMILES for 1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine is CCC(N)Cc1c(-n2cc(Br)cn2)nc2sccn12.
What is the InChIKey of 1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
The InChIKey is PYQRPUSSJVJFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5S/c1-2-9(14)5-10-11(18-7-8(13)6-15-18)16-12-17(10)3-4-19-12/h3-4,6-7,9H,2,5,14H2,1H3.
What are the key properties of 1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine?
1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine has a molecular weight of 340.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63815377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).