[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone

C17H21N5O4S2 — CID 55498156

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc3c(C)nn(C)c3s2)CC1
InChIInChI=1S/C17H21N5O4S2/c1-10-13-9-14(27-17(13)20(4)18-10)16(23)21-5-7-22(8-6-21)28(24,25)15-11(2)19-26-12(15)3/h9H,5-8H2,1-4H3
InChIKeyNJEXGOIMFYKYQL-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.69
Rot. Bonds3

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone (PubChem CID 55498156) has the molecular formula C17H21N5O4S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
PubChem CID55498156
Molecular FormulaC17H21N5O4S2
Molecular Weight423.52 g/mol
Exact Mass423.10
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc3c(C)nn(C)c3s2)CC1
InChIInChI=1S/C17H21N5O4S2/c1-10-13-9-14(27-17(13)20(4)18-10)16(23)21-5-7-22(8-6-21)28(24,25)15-11(2)19-26-12(15)3/h9H,5-8H2,1-4H3
InChIKeyNJEXGOIMFYKYQL-UHFFFAOYSA-N
XLogP1.69
TPSA101.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 9150987
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]methanone
CID 9151174
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416107
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 41362332
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 51305036
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-(thiadiazol-5-yl)methanone
CID 128936423
1-benzofuran-2-yl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 9151007
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one
CID 17455988
(2,4-difluorophenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 9150819
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 1076000
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone
CID 166227098

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone (CID 55498156) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone is Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc3c(C)nn(C)c3s2)CC1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone?
The InChIKey is NJEXGOIMFYKYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S2/c1-10-13-9-14(27-17(13)20(4)18-10)16(23)21-5-7-22(8-6-21)28(24,25)15-11(2)19-26-12(15)3/h9H,5-8H2,1-4H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone has a molecular weight of 423.52 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 55498156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).