2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide

C9H15N5O3S2 — CID 22200280

IUPAC2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCS(=O)(=O)N1CCN(CC(=O)Nc2nncs2)CC1
InChIInChI=1S/C9H15N5O3S2/c1-19(16,17)14-4-2-13(3-5-14)6-8(15)11-9-12-10-7-18-9/h7H,2-6H2,1H3,(H,11,12,15)
InChIKeyINCZJTLUBRBPLW-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.95
Rot. Bonds4

About 2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 22200280) has the molecular formula C9H15N5O3S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID22200280
Molecular FormulaC9H15N5O3S2
Molecular Weight305.38 g/mol
Exact Mass305.06
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCS(=O)(=O)N1CCN(CC(=O)Nc2nncs2)CC1
InChIInChI=1S/C9H15N5O3S2/c1-19(16,17)14-4-2-13(3-5-14)6-8(15)11-9-12-10-7-18-9/h7H,2-6H2,1H3,(H,11,12,15)
InChIKeyINCZJTLUBRBPLW-UHFFFAOYSA-N
XLogP-0.95
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 17375351
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 91841554
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22194063
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47034364
2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455494
2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455449
N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 17376167
2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455431
2-[4-(2-ethyl-5-fluorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 138031283
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 51119848
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22195495
2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455565

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 22200280) is 2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide is CS(=O)(=O)N1CCN(CC(=O)Nc2nncs2)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is INCZJTLUBRBPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S2/c1-19(16,17)14-4-2-13(3-5-14)6-8(15)11-9-12-10-7-18-9/h7H,2-6H2,1H3,(H,11,12,15).
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of -0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 22200280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).