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

C18H17N5O2S — CID 133443143

IUPAC(3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(O)c1)N1CCN(c2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C18H17N5O2S/c24-14-5-3-4-13(12-14)17(25)22-8-10-23(11-9-22)18-21-20-16(26-18)15-6-1-2-7-19-15/h1-7,12,24H,8-11H2
InChIKeyHLGBESZSZNFQAA-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.27
Rot. Bonds3

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

(3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 133443143) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
PubChem CID133443143
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name(3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(O)c1)N1CCN(c2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C18H17N5O2S/c24-14-5-3-4-13(12-14)17(25)22-8-10-23(11-9-22)18-21-20-16(26-18)15-6-1-2-7-19-15/h1-7,12,24H,8-11H2
InChIKeyHLGBESZSZNFQAA-UHFFFAOYSA-N
XLogP2.27
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-chlorophenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 133468145
2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133467685
1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxylic acid
CID 122064429
(2R)-1-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 133486328
ethyl 6-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyridine-3-carboxylate
CID 133468294
(3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 133464338
methyl 2-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetate
CID 75477877
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
(3-chlorophenyl)-[4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 42604904
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone (CID 133443143) is (3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone is O=C(c1cccc(O)c1)N1CCN(c2nnc(-c3ccccn3)s2)CC1.
What is the InChIKey of (3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is HLGBESZSZNFQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c24-14-5-3-4-13(12-14)17(25)22-8-10-23(11-9-22)18-21-20-16(26-18)15-6-1-2-7-19-15/h1-7,12,24H,8-11H2.
What are the key properties of (3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
(3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 367.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 133443143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).