N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide

C8H14N4OS — CID 107641879

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
SMILESCCc1nnc(NC(=O)CCNC)s1
InChIInChI=1S/C8H14N4OS/c1-3-7-11-12-8(14-7)10-6(13)4-5-9-2/h9H,3-5H2,1-2H3,(H,10,12,13)
InChIKeyJRMRUBXJMMNRAJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.65
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide (PubChem CID 107641879) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
PubChem CID107641879
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
SMILESCCc1nnc(NC(=O)CCNC)s1
InChIInChI=1S/C8H14N4OS/c1-3-7-11-12-8(14-7)10-6(13)4-5-9-2/h9H,3-5H2,1-2H3,(H,10,12,13)
InChIKeyJRMRUBXJMMNRAJ-UHFFFAOYSA-N
XLogP0.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787271
N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
N-(4-chlorophenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1400163
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 29410693
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093494
N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 940795
2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 11778819
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate
CID 34111171
4-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 940949
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide (CID 107641879) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide is CCc1nnc(NC(=O)CCNC)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide?
The InChIKey is JRMRUBXJMMNRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-3-7-11-12-8(14-7)10-6(13)4-5-9-2/h9H,3-5H2,1-2H3,(H,10,12,13).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide has a molecular weight of 214.29 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide is sourced from PubChem (CID 107641879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).