[4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone

C19H16BrN3O3S2 — CID 55959989

IUPAC[4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1csc(-c2cc(Br)cs2)n1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C19H16BrN3O3S2/c20-12-9-16(27-10-12)17-21-14(11-28-17)19(26)23-7-5-22(6-8-23)18(25)13-3-1-2-4-15(13)24/h1-4,9-11,24H,5-8H2
InChIKeySTSCNKMEAXBMDH-UHFFFAOYSA-N
MW478.39 g/mol
LogP3.94
Rot. Bonds3

About [4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone

[4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone (PubChem CID 55959989) has the molecular formula C19H16BrN3O3S2 and a molecular weight of 478.39 g/mol. Its IUPAC name is [4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
PubChem CID55959989
Molecular FormulaC19H16BrN3O3S2
Molecular Weight478.39 g/mol
Exact Mass476.98
IUPAC Name[4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1csc(-c2cc(Br)cs2)n1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C19H16BrN3O3S2/c20-12-9-16(27-10-12)17-21-14(11-28-17)19(26)23-7-5-22(6-8-23)18(25)13-3-1-2-4-15(13)24/h1-4,9-11,24H,5-8H2
InChIKeySTSCNKMEAXBMDH-UHFFFAOYSA-N
XLogP3.94
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 55929244
(2S)-4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxamide
CID 94370769
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 78813030
1-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55953967
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540797
[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570853
[2-(aminomethyl)piperidin-1-yl]-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119468268
tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 46684680
(2-ethoxyphenyl)-[4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 78892405
furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 38909287

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone (CID 55959989) is [4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone is O=C(c1csc(-c2cc(Br)cs2)n1)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of [4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is STSCNKMEAXBMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3S2/c20-12-9-16(27-10-12)17-21-14(11-28-17)19(26)23-7-5-22(6-8-23)18(25)13-3-1-2-4-15(13)24/h1-4,9-11,24H,5-8H2.
What are the key properties of [4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone?
[4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 478.39 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 55959989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).