1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one

C14H11BrN2OS — CID 113289109

IUPAC1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
SMILESO=C(Cc1cccc(Br)c1)Cc1cn2ccsc2n1
InChIInChI=1S/C14H11BrN2OS/c15-11-3-1-2-10(6-11)7-13(18)8-12-9-17-4-5-19-14(17)16-12/h1-6,9H,7-8H2
InChIKeyBEVBGTVVIPUXKD-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.51
Rot. Bonds4

About 1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one

1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one (PubChem CID 113289109) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
PubChem CID113289109
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
SMILESO=C(Cc1cccc(Br)c1)Cc1cn2ccsc2n1
InChIInChI=1S/C14H11BrN2OS/c15-11-3-1-2-10(6-11)7-13(18)8-12-9-17-4-5-19-14(17)16-12/h1-6,9H,7-8H2
InChIKeyBEVBGTVVIPUXKD-UHFFFAOYSA-N
XLogP3.51
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 115333101
1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792047
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one
CID 105123036
1-(3-bromophenyl)-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869984
6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 113289485
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one
CID 62621721
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-yloxypropan-2-one
CID 105123189
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331935
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 70769748
N-(2-aminoethyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884629

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The IUPAC name of 1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one (CID 113289109) is 1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The canonical SMILES for 1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one is O=C(Cc1cccc(Br)c1)Cc1cn2ccsc2n1.
What is the InChIKey of 1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The InChIKey is BEVBGTVVIPUXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c15-11-3-1-2-10(6-11)7-13(18)8-12-9-17-4-5-19-14(17)16-12/h1-6,9H,7-8H2.
What are the key properties of 1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one has a molecular weight of 335.23 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one is sourced from PubChem (CID 113289109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).