N,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide

C10H18N4OS — CID 60925505

IUPACN,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide
SMILESCCN(CC)C(=O)CCNCc1csnn1
InChIInChI=1S/C10H18N4OS/c1-3-14(4-2)10(15)5-6-11-7-9-8-16-13-12-9/h8,11H,3-7H2,1-2H3
InChIKeyQFXNOVNTLJAXSV-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.89
Rot. Bonds7

About N,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide

N,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide (PubChem CID 60925505) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide
PubChem CID60925505
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide
SMILESCCN(CC)C(=O)CCNCc1csnn1
InChIInChI=1S/C10H18N4OS/c1-3-14(4-2)10(15)5-6-11-7-9-8-16-13-12-9/h8,11H,3-7H2,1-2H3
InChIKeyQFXNOVNTLJAXSV-UHFFFAOYSA-N
XLogP0.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide?
The IUPAC name of N,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide (CID 60925505) is N,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide?
The canonical SMILES for N,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide is CCN(CC)C(=O)CCNCc1csnn1.
What is the InChIKey of N,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide?
The InChIKey is QFXNOVNTLJAXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-14(4-2)10(15)5-6-11-7-9-8-16-13-12-9/h8,11H,3-7H2,1-2H3.
What are the key properties of N,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide?
N,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide has a molecular weight of 242.35 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 60925505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).