N-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide

C9H16N4OS2 — CID 54229358

IUPACN-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1n[nH]c(=S)s1
InChIInChI=1S/C9H16N4OS2/c1-3-13(4-2)6-5-10-7(14)8-11-12-9(15)16-8/h3-6H2,1-2H3,(H,10,14)(H,12,15)
InChIKeyQIDGIQXLJLLGCC-UHFFFAOYSA-N
MW260.39 g/mol
LogP1.27
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide

N-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide (PubChem CID 54229358) has the molecular formula C9H16N4OS2 and a molecular weight of 260.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide
PubChem CID54229358
Molecular FormulaC9H16N4OS2
Molecular Weight260.39 g/mol
Exact Mass260.08
IUPAC NameN-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1n[nH]c(=S)s1
InChIInChI=1S/C9H16N4OS2/c1-3-13(4-2)6-5-10-7(14)8-11-12-9(15)16-8/h3-6H2,1-2H3,(H,10,14)(H,12,15)
InChIKeyQIDGIQXLJLLGCC-UHFFFAOYSA-N
XLogP1.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103719302
4-chloro-N-[2-(diethylamino)ethyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803768
N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484320
4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 55034048
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 46327661
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91484769
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
N-[2-(diethylamino)ethyl]thiophene-3-carboxamide
CID 47007987

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide (CID 54229358) is N-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide is CCN(CC)CCNC(=O)c1n[nH]c(=S)s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide?
The InChIKey is QIDGIQXLJLLGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS2/c1-3-13(4-2)6-5-10-7(14)8-11-12-9(15)16-8/h3-6H2,1-2H3,(H,10,14)(H,12,15).
What are the key properties of N-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide?
N-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide has a molecular weight of 260.39 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 54229358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).