[4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C20H19ClN4O2S — CID 100748246

IUPAC[4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2snnc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClN4O2S/c1-27-17-5-3-2-4-16(17)24-10-12-25(13-11-24)20(26)19-18(22-23-28-19)14-6-8-15(21)9-7-14/h2-9H,10-13H2,1H3
InChIKeyOTEHFLVKLCSKGA-UHFFFAOYSA-N
MW414.92 g/mol
LogP3.83
Rot. Bonds4

About [4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 100748246) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is [4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID100748246
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC Name[4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2snnc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClN4O2S/c1-27-17-5-3-2-4-16(17)24-10-12-25(13-11-24)20(26)19-18(22-23-28-19)14-6-8-15(21)9-7-14/h2-9H,10-13H2,1H3
InChIKeyOTEHFLVKLCSKGA-UHFFFAOYSA-N
XLogP3.83
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26718644
[3-(4-chlorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 124877054
[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 100751410
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(5-chloro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3972918
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 15998425
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42537622
[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone
CID 26912380
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50848278
(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 53141256
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26718598
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 100748246) is [4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2snnc2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is OTEHFLVKLCSKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-27-17-5-3-2-4-16(17)24-10-12-25(13-11-24)20(26)19-18(22-23-28-19)14-6-8-15(21)9-7-14/h2-9H,10-13H2,1H3.
What are the key properties of [4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 414.92 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)thiadiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 100748246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).