(2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C11H17N3O3S2 — CID 47426920

IUPAC(2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCCc1ncc(C(=O)N2CCN(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C11H17N3O3S2/c1-3-10-12-8-9(18-10)11(15)13-4-6-14(7-5-13)19(2,16)17/h8H,3-7H2,1-2H3
InChIKeyPJZBOFYWEHQDOH-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.42
Rot. Bonds3

About (2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 47426920) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID47426920
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name(2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCCc1ncc(C(=O)N2CCN(S(C)(=O)=O)CC2)s1
InChIInChI=1S/C11H17N3O3S2/c1-3-10-12-8-9(18-10)11(15)13-4-6-14(7-5-13)19(2,16)17/h8H,3-7H2,1-2H3
InChIKeyPJZBOFYWEHQDOH-UHFFFAOYSA-N
XLogP0.42
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-5-carboxamide
CID 47404403
2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
CID 47925770
1-Methylsulfonyl-4-(1,3-thiazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 118739890
N-(2-ethylsulfonylethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 60231579
[(3S)-3-methyl-4-(2-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 60311992
(2-Propyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 71929554
2-propyl-N-(2-sulfamoylpropyl)-1,3-thiazole-5-carboxamide
CID 75396908
(2-Cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 86796249
2-ethyl-N-methylsulfonyl-1,3-thiazole-5-carboxamide
CID 47425444
1,3-Thiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 129488435
4-[2-(2-Methylpropyl)-1,3-thiazole-5-carbonyl]-1-(2,2,2-trifluoroethyl)piperazin-2-one
CID 138023455
N-[ethyl(methyl)sulfamoyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 72115147

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 47426920) is (2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is CCc1ncc(C(=O)N2CCN(S(C)(=O)=O)CC2)s1.
What is the InChIKey of (2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is PJZBOFYWEHQDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-3-10-12-8-9(18-10)11(15)13-4-6-14(7-5-13)19(2,16)17/h8H,3-7H2,1-2H3.
What are the key properties of (2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 303.41 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 47426920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).