(4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone

C14H13ClN4O2S — CID 87010277

IUPAC(4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cnsn2)CC1
InChIInChI=1S/C14H13ClN4O2S/c15-11-3-1-10(2-4-11)13(20)18-5-7-19(8-6-18)14(21)12-9-16-22-17-12/h1-4,9H,5-8H2
InChIKeyBLPGTNFOYBIJDH-UHFFFAOYSA-N
MW336.80 g/mol
LogP1.79
Rot. Bonds2

About (4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone

(4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 87010277) has the molecular formula C14H13ClN4O2S and a molecular weight of 336.80 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID87010277
Molecular FormulaC14H13ClN4O2S
Molecular Weight336.80 g/mol
Exact Mass336.04
IUPAC Name(4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cnsn2)CC1
InChIInChI=1S/C14H13ClN4O2S/c15-11-3-1-10(2-4-11)13(20)18-5-7-19(8-6-18)14(21)12-9-16-22-17-12/h1-4,9H,5-8H2
InChIKeyBLPGTNFOYBIJDH-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

piperazin-1-yl(1,2,5-thiadiazol-3-yl)methanone
CID 43522513
(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 51076533
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-chlorophenyl)methanone;hydrochloride
CID 119704882
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 110802860
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797025
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
CID 97374342
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,4-diazepan-1-yl]-(4-chlorophenyl)methanone
CID 119747808
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 41246370
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone (CID 87010277) is (4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cnsn2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is BLPGTNFOYBIJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S/c15-11-3-1-10(2-4-11)13(20)18-5-7-19(8-6-18)14(21)12-9-16-22-17-12/h1-4,9H,5-8H2.
What are the key properties of (4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 336.80 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(1,2,5-thiadiazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 87010277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).