2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone

C10H17N5OS — CID 65273629

IUPAC2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
SMILESCc1nsc(N(C)CC(=O)N2CCNCC2)n1
InChIInChI=1S/C10H17N5OS/c1-8-12-10(17-13-8)14(2)7-9(16)15-5-3-11-4-6-15/h11H,3-7H2,1-2H3
InChIKeyGHKKZJOCFOLWLD-UHFFFAOYSA-N
MW255.35 g/mol
LogP-0.29
Rot. Bonds3

About 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone

2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 65273629) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
PubChem CID65273629
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
SMILESCc1nsc(N(C)CC(=O)N2CCNCC2)n1
InChIInChI=1S/C10H17N5OS/c1-8-12-10(17-13-8)14(2)7-9(16)15-5-3-11-4-6-15/h11H,3-7H2,1-2H3
InChIKeyGHKKZJOCFOLWLD-UHFFFAOYSA-N
XLogP-0.29
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
N-(2-(dimethylamino)ethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807138
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
CID 71913844
N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925917
3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide
CID 71988596
2-(diethylamino)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 71989635
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
N-[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 96567409
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
CID 124596954
N,N-diethyl-2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]acetamide
CID 125423902
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 71866687
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 71983388

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone (CID 65273629) is 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone is Cc1nsc(N(C)CC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is GHKKZJOCFOLWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-8-12-10(17-13-8)14(2)7-9(16)15-5-3-11-4-6-15/h11H,3-7H2,1-2H3.
What are the key properties of 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 255.35 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 65273629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).