(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C14H15N3O3S — CID 103748970

IUPAC(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1c(O)cccc1O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H15N3O3S/c18-10-2-1-3-11(19)12(10)13(20)16-5-7-17(8-6-16)14-15-4-9-21-14/h1-4,9,18-19H,5-8H2
InChIKeyBDZSJTXBHZJUSI-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.52
Rot. Bonds2

About (2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 103748970) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is (2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID103748970
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1c(O)cccc1O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H15N3O3S/c18-10-2-1-3-11(19)12(10)13(20)16-5-7-17(8-6-16)14-15-4-9-21-14/h1-4,9,18-19H,5-8H2
InChIKeyBDZSJTXBHZJUSI-UHFFFAOYSA-N
XLogP1.52
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 104740876
(3-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29051874
(5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 41433639
(2-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29031368
5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
CID 43414558
(2-methyl-1H-indol-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 30779142
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 43582548
2-bromo-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzoic acid
CID 114888036
[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56817493
(2-bromo-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 80973187
2-propan-2-yl-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phthalazin-1-one
CID 51306307
4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 18138912

Frequently Asked Questions

What is the IUPAC name of (2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 103748970) is (2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(c1c(O)cccc1O)N1CCN(c2nccs2)CC1.
What is the InChIKey of (2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is BDZSJTXBHZJUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-10-2-1-3-11(19)12(10)13(20)16-5-7-17(8-6-16)14-15-4-9-21-14/h1-4,9,18-19H,5-8H2.
What are the key properties of (2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 305.36 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 103748970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).