N,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide

C12H22N4OS — CID 65271292

IUPACN,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCCCc1nsc(NCCC(=O)N(CC)CC)n1
InChIInChI=1S/C12H22N4OS/c1-4-7-10-14-12(18-15-10)13-9-8-11(17)16(5-2)6-3/h4-9H2,1-3H3,(H,13,14,15)
InChIKeyWFFRHLCRHLUGAV-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.16
Rot. Bonds8

About N,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide

N,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide (PubChem CID 65271292) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is N,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide
PubChem CID65271292
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC NameN,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCCCc1nsc(NCCC(=O)N(CC)CC)n1
InChIInChI=1S/C12H22N4OS/c1-4-7-10-14-12(18-15-10)13-9-8-11(17)16(5-2)6-3/h4-9H2,1-3H3,(H,13,14,15)
InChIKeyWFFRHLCRHLUGAV-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(Butylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 3317921
1-Cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924181
1-Tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924183
1-Tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71976849
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
1-Tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 75376042
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
CID 71913844
1-[3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 71918740
3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide
CID 71988596
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 97092985
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
CID 124596954

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide (CID 65271292) is N,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide is CCCc1nsc(NCCC(=O)N(CC)CC)n1.
What is the InChIKey of N,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The InChIKey is WFFRHLCRHLUGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-7-10-14-12(18-15-10)13-9-8-11(17)16(5-2)6-3/h4-9H2,1-3H3,(H,13,14,15).
What are the key properties of N,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
N,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide has a molecular weight of 270.40 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide is sourced from PubChem (CID 65271292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).