4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one

C11H19N5OS — CID 102892626

IUPAC4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one
SMILESCCNc1nnc(CN2CCCN(C)C(=O)C2)s1
InChIInChI=1S/C11H19N5OS/c1-3-12-11-14-13-9(18-11)7-16-6-4-5-15(2)10(17)8-16/h3-8H2,1-2H3,(H,12,14)
InChIKeyZAWYPGRYOPVSJN-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.63
Rot. Bonds4

About 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one

4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one (PubChem CID 102892626) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one
PubChem CID102892626
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one
SMILESCCNc1nnc(CN2CCCN(C)C(=O)C2)s1
InChIInChI=1S/C11H19N5OS/c1-3-12-11-14-13-9(18-11)7-16-6-4-5-15(2)10(17)8-16/h3-8H2,1-2H3,(H,12,14)
InChIKeyZAWYPGRYOPVSJN-UHFFFAOYSA-N
XLogP0.63
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,4-diazepan-2-one
CID 80607879
5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606120
[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol
CID 80606257
ethyl 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-1-carboxylate
CID 107877685
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80609055
4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one
CID 80609094
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321573
4-[(5-aminothiadiazol-4-yl)methyl]-1-methyl-1,4-diazepan-2-one
CID 102892549
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80607629
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81102871
1-methyl-4-(pyridin-4-ylmethyl)-1,4-diazepan-2-one
CID 117005343
1-methyl-4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,3-dione
CID 80608371

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one (CID 102892626) is 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one is CCNc1nnc(CN2CCCN(C)C(=O)C2)s1.
What is the InChIKey of 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one?
The InChIKey is ZAWYPGRYOPVSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-3-12-11-14-13-9(18-11)7-16-6-4-5-15(2)10(17)8-16/h3-8H2,1-2H3,(H,12,14).
What are the key properties of 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one?
4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one has a molecular weight of 269.37 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102892626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).