5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

C17H17N3O4S3 — CID 16616013

IUPAC5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C17H17N3O4S3/c1-11-16(26-17(22)18-11)27(23,24)20-8-6-19(7-9-20)15(21)14-10-12-4-2-3-5-13(12)25-14/h2-5,10H,6-9H2,1H3,(H,18,22)
InChIKeyRADNBAVWBRQJAI-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.11
Rot. Bonds3

About 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 16616013) has the molecular formula C17H17N3O4S3 and a molecular weight of 423.54 g/mol. Its IUPAC name is 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
PubChem CID16616013
Molecular FormulaC17H17N3O4S3
Molecular Weight423.54 g/mol
Exact Mass423.04
IUPAC Name5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C17H17N3O4S3/c1-11-16(26-17(22)18-11)27(23,24)20-8-6-19(7-9-20)15(21)14-10-12-4-2-3-5-13(12)25-14/h2-5,10H,6-9H2,1H3,(H,18,22)
InChIKeyRADNBAVWBRQJAI-UHFFFAOYSA-N
XLogP2.11
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16616073
5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 18288944
4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide
CID 61407080
(5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 24680701
4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16615985
4-methyl-5-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16962575
4-methyl-5-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16962586
ethyl 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 46464437
4-methyl-5-[4-[4-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16616036
4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16615899
4-methyl-5-[4-[(2R)-2-phenyl-2-phenylsulfanylacetyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 26262701
5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 16615975

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one (CID 16616013) is 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1.
What is the InChIKey of 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The InChIKey is RADNBAVWBRQJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S3/c1-11-16(26-17(22)18-11)27(23,24)20-8-6-19(7-9-20)15(21)14-10-12-4-2-3-5-13(12)25-14/h2-5,10H,6-9H2,1H3,(H,18,22).
What are the key properties of 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 423.54 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 16616013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).