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

C10H18N4OS — CID 65267804

IUPACN,N-diethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1nc(C)ns1
InChIInChI=1S/C10H18N4OS/c1-4-14(5-2)9(15)6-7-11-10-12-8(3)13-16-10/h4-7H2,1-3H3,(H,11,12,13)
InChIKeyMWJJCZIHYCBNTF-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.52
Rot. Bonds6

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

N,N-diethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide (PubChem CID 65267804) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N,N-diethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide
PubChem CID65267804
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN,N-diethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1nc(C)ns1
InChIInChI=1S/C10H18N4OS/c1-4-14(5-2)9(15)6-7-11-10-12-8(3)13-16-10/h4-7H2,1-3H3,(H,11,12,13)
InChIKeyMWJJCZIHYCBNTF-UHFFFAOYSA-N
XLogP1.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
CID 124596954
(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 164633149
N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304752
N,N-diethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304753
N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304776
N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304879

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide (CID 65267804) is N,N-diethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide is CCN(CC)C(=O)CCNc1nc(C)ns1.
What is the InChIKey of N,N-diethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The InChIKey is MWJJCZIHYCBNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-4-14(5-2)9(15)6-7-11-10-12-8(3)13-16-10/h4-7H2,1-3H3,(H,11,12,13).
What are the key properties of N,N-diethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
N,N-diethyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide has a molecular weight of 242.35 g/mol, XLogP of 1.52, 6 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-methyl-1,2,4-thiadiazol-5-yl)amino]propanamide is sourced from PubChem (CID 65267804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).