(5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C14H14BrN3O2S — CID 41433639

IUPAC(5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H14BrN3O2S/c15-10-1-2-12(19)11(9-10)13(20)17-4-6-18(7-5-17)14-16-3-8-21-14/h1-3,8-9,19H,4-7H2
InChIKeyBKMVKAXGRLXUTQ-UHFFFAOYSA-N
MW368.26 g/mol
LogP2.57
Rot. Bonds2

About (5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 41433639) has the molecular formula C14H14BrN3O2S and a molecular weight of 368.26 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID41433639
Molecular FormulaC14H14BrN3O2S
Molecular Weight368.26 g/mol
Exact Mass367.00
IUPAC Name(5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H14BrN3O2S/c15-10-1-2-12(19)11(9-10)13(20)17-4-6-18(7-5-17)14-16-3-8-21-14/h1-3,8-9,19H,4-7H2
InChIKeyBKMVKAXGRLXUTQ-UHFFFAOYSA-N
XLogP2.57
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-2-hydroxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17452341
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(2-bromo-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
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(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
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1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone
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(3-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
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(2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
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5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzenecarbothioamide
CID 114891210
2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]benzamide
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[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 41433639) is (5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(c1cc(Br)ccc1O)N1CCN(c2nccs2)CC1.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is BKMVKAXGRLXUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2S/c15-10-1-2-12(19)11(9-10)13(20)17-4-6-18(7-5-17)14-16-3-8-21-14/h1-3,8-9,19H,4-7H2.
What are the key properties of (5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 368.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 41433639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).