[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone

C21H21N3O4S2 — CID 55704356

IUPAC[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1
InChIInChI=1S/C21H21N3O4S2/c1-28-17-7-9-18(10-8-17)30(26,27)24-13-11-23(12-14-24)21(25)19-15-22-20(29-19)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3
InChIKeyHDSUIULHJDQRND-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.97
Rot. Bonds5

About [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone

[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone (PubChem CID 55704356) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
PubChem CID55704356
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC Name[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1
InChIInChI=1S/C21H21N3O4S2/c1-28-17-7-9-18(10-8-17)30(26,27)24-13-11-23(12-14-24)21(25)19-15-22-20(29-19)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3
InChIKeyHDSUIULHJDQRND-UHFFFAOYSA-N
XLogP2.97
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 71994882
(4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone
CID 139004966
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545366
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 27669252
(4-ethyl-5-propylthiophen-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 26260997
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646184
(2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 56813121
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579116
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 42571680
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone (CID 55704356) is [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(-c4ccccc4)s3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone?
The InChIKey is HDSUIULHJDQRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c1-28-17-7-9-18(10-8-17)30(26,27)24-13-11-23(12-14-24)21(25)19-15-22-20(29-19)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone?
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone has a molecular weight of 443.55 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 55704356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).