2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide

C9H17N5OS — CID 80606572

IUPAC2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide
SMILESCCNc1nnc(CN(C)CC(=O)NC)s1
InChIInChI=1S/C9H17N5OS/c1-4-11-9-13-12-8(16-9)6-14(3)5-7(15)10-2/h4-6H2,1-3H3,(H,10,15)(H,11,13)
InChIKeyCGPIUDGFOWHIKY-UHFFFAOYSA-N
MW243.34 g/mol
LogP0.15
Rot. Bonds6

About 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide (PubChem CID 80606572) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide
PubChem CID80606572
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide
SMILESCCNc1nnc(CN(C)CC(=O)NC)s1
InChIInChI=1S/C9H17N5OS/c1-4-11-9-13-12-8(16-9)6-14(3)5-7(15)10-2/h4-6H2,1-3H3,(H,10,15)(H,11,13)
InChIKeyCGPIUDGFOWHIKY-UHFFFAOYSA-N
XLogP0.15
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol
CID 107204436
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide
CID 106918004
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]propan-1-ol
CID 104554428
2-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 80606899
2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
CID 80606596
N-ethyl-2-[ethyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
CID 80606213
2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide
CID 79771358
N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607364
N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 102996900
1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol
CID 80606320
2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3072301
2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide
CID 62472420

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide (CID 80606572) is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide is CCNc1nnc(CN(C)CC(=O)NC)s1.
What is the InChIKey of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide?
The InChIKey is CGPIUDGFOWHIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-4-11-9-13-12-8(16-9)6-14(3)5-7(15)10-2/h4-6H2,1-3H3,(H,10,15)(H,11,13).
What are the key properties of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide?
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide has a molecular weight of 243.34 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 80606572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).