[2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone

C13H13ClN4OS — CID 120802150

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C13H13ClN4OS/c14-10-3-1-2-9(6-10)12-7-15-4-5-18(12)13(19)11-8-20-17-16-11/h1-3,6,8,12,15H,4-5,7H2
InChIKeyZQAQJUNLOPKXRR-UHFFFAOYSA-N
MW308.79 g/mol
LogP1.98
Rot. Bonds2

About [2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone

[2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone (PubChem CID 120802150) has the molecular formula C13H13ClN4OS and a molecular weight of 308.79 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
PubChem CID120802150
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C13H13ClN4OS/c14-10-3-1-2-9(6-10)12-7-15-4-5-18(12)13(19)11-8-20-17-16-11/h1-3,6,8,12,15H,4-5,7H2
InChIKeyZQAQJUNLOPKXRR-UHFFFAOYSA-N
XLogP1.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1,2,3]Thiadiazole-4-carboxylic acid allyl-[(4-chloro-phenyl)-cyclopentylcarbamoyl-methyl]-amide
CID 3219477
[1,2,3]Thiadiazole-4-carboxylic acid (benzylcarbamoyl-methyl)-(2-chloro-benzyl)-amide
CID 1445672
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[(4-chloro-phenyl)-cyclohexylcarbamoyl-methyl]-amide
CID 3219478
[1,2,3]Thiadiazole-4-carboxylic acid benzyl-(phenethylcarbamoyl-methyl)-amide
CID 24793345
[1,2,3]Thiadiazole-4-carboxylic acid (3-chloro-4-fluoro-phenyl)-[(4-fluoro-benzylcarbamoyl)-methyl]-amide
CID 24792527
[1,2,3]Thiadiazole-4-carboxylic acid,benzyl-(benzylcarbamoylmethyl)amide
CID 1445658
[1,2,3]Thiadiazole-4-carboxylic acid [(4-chloro-phenyl)-cyclopentylcarbamoyl-methyl]-cyclopropyl-amide
CID 3219453
[1,2,3]Thiadiazole-4-carboxylic acid [(4-chloro-phenyl)-(4-fluoro-benzylcarbamoyl)-methyl]-cyclopropyl-amide
CID 3222346
[1,2,3]Thiadiazole-4-carboxylic acid (4-chloro-benzyl)-[(4-fluoro-benzylcarbamoyl)-methyl]-amide
CID 24761928
[1,2,3]Thiadiazole-4-carboxylic acid sec-butyl-[(2-chloro-6-fluoro-phenyl)-cyclopentylcarbamoyl-methyl]-amide
CID 24761944
[1,2,3]Thiadiazole-4-carboxylic acid (benzylcarbamoyl-methyl)-(3-chloro-4-fluoro-phenyl)-amide
CID 24792438
[1,2,3]Thiadiazole-4-carboxylic acid (3-chloro-4-fluoro-phenyl)-(phenethylcarbamoyl-methyl)-amide
CID 24793344

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone (CID 120802150) is [2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone is O=C(c1csnn1)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is ZQAQJUNLOPKXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c14-10-3-1-2-9(6-10)12-7-15-4-5-18(12)13(19)11-8-20-17-16-11/h1-3,6,8,12,15H,4-5,7H2.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone?
[2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 308.79 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 120802150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).