2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide

C15H27N6O2S2+ — CID 9379590

IUPAC2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide
SMILESCCNc1nnc(SCC(=O)N2CC[NH+](CC(=O)NC(C)C)CC2)s1
InChIInChI=1S/C15H26N6O2S2/c1-4-16-14-18-19-15(25-14)24-10-13(23)21-7-5-20(6-8-21)9-12(22)17-11(2)3/h11H,4-10H2,1-3H3,(H,16,18)(H,17,22)/p+1
InChIKeyFWHUWTIWIAEDHL-UHFFFAOYSA-O
MW387.56 g/mol
LogP-0.69
Rot. Bonds8

About 2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide

2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide (PubChem CID 9379590) has the molecular formula C15H27N6O2S2+ and a molecular weight of 387.56 g/mol. Its IUPAC name is 2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide
PubChem CID9379590
Molecular FormulaC15H27N6O2S2+
Molecular Weight387.56 g/mol
Exact Mass387.16
IUPAC Name2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide
SMILESCCNc1nnc(SCC(=O)N2CC[NH+](CC(=O)NC(C)C)CC2)s1
InChIInChI=1S/C15H26N6O2S2/c1-4-16-14-18-19-15(25-14)24-10-13(23)21-7-5-20(6-8-21)9-12(22)17-11(2)3/h11H,4-10H2,1-3H3,(H,16,18)(H,17,22)/p+1
InChIKeyFWHUWTIWIAEDHL-UHFFFAOYSA-O
XLogP-0.69
TPSA91.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.56
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-yl-2-[4-[2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]acetamide
CID 9378721
1-(4-benzylpiperazin-4-ium-1-yl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 9379648
2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 9379650
N-propan-2-yl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16516187
N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379533
1-(4-methylpiperidin-1-yl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 32614506
N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
CID 1084779
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 78672565
N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide
CID 43021669
1-(4-benzylpiperazin-4-ium-1-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7798402
N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27987886
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 27987763

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide (CID 9379590) is 2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide is CCNc1nnc(SCC(=O)N2CC[NH+](CC(=O)NC(C)C)CC2)s1.
What is the InChIKey of 2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide?
The InChIKey is FWHUWTIWIAEDHL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H26N6O2S2/c1-4-16-14-18-19-15(25-14)24-10-13(23)21-7-5-20(6-8-21)9-12(22)17-11(2)3/h11H,4-10H2,1-3H3,(H,16,18)(H,17,22)/p+1.
What are the key properties of 2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide?
2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide has a molecular weight of 387.56 g/mol, XLogP of -0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 9379590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).