(2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

C14H16N4O2S — CID 71980627

IUPAC(2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nsc(N2CCN(C(=O)c3ccccc3O)CC2)n1
InChIInChI=1S/C14H16N4O2S/c1-10-15-14(21-16-10)18-8-6-17(7-9-18)13(20)11-4-2-3-5-12(11)19/h2-5,19H,6-9H2,1H3
InChIKeyGQXLQJVYTMVXKJ-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.51
Rot. Bonds2

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

(2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 71980627) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID71980627
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name(2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nsc(N2CCN(C(=O)c3ccccc3O)CC2)n1
InChIInChI=1S/C14H16N4O2S/c1-10-15-14(21-16-10)18-8-6-17(7-9-18)13(20)11-4-2-3-5-12(11)19/h2-5,19H,6-9H2,1H3
InChIKeyGQXLQJVYTMVXKJ-UHFFFAOYSA-N
XLogP1.51
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 133328573
(2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328039
1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 75374117
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328030
[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 86815233
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 150799132
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 71983988
(2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119947337
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 133333033
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-4-phenylbutan-1-one
CID 133316261
2-amino-2-methyl-1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119894207

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (CID 71980627) is (2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is Cc1nsc(N2CCN(C(=O)c3ccccc3O)CC2)n1.
What is the InChIKey of (2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is GQXLQJVYTMVXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-10-15-14(21-16-10)18-8-6-17(7-9-18)13(20)11-4-2-3-5-12(11)19/h2-5,19H,6-9H2,1H3.
What are the key properties of (2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
(2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 304.38 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 71980627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).