N-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C18H24N4OS2 — CID 46639826

IUPACN-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCCc1cccc(CC)c1Nc1nnc(SC(C)C(=O)NC2CC2)s1
InChIInChI=1S/C18H24N4OS2/c1-4-12-7-6-8-13(5-2)15(12)20-17-21-22-18(25-17)24-11(3)16(23)19-14-9-10-14/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyKLLSZDIMHUMSAN-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.17
Rot. Bonds8

About N-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

N-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 46639826) has the molecular formula C18H24N4OS2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID46639826
Molecular FormulaC18H24N4OS2
Molecular Weight376.55 g/mol
Exact Mass376.14
IUPAC NameN-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCCc1cccc(CC)c1Nc1nnc(SC(C)C(=O)NC2CC2)s1
InChIInChI=1S/C18H24N4OS2/c1-4-12-7-6-8-13(5-2)15(12)20-17-21-22-18(25-17)24-11(3)16(23)19-14-9-10-14/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyKLLSZDIMHUMSAN-UHFFFAOYSA-N
XLogP4.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylpropanamide
CID 2648064
N-cyclopentyl-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 3496244
(2S)-2-[[5-(3-chloroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclohexylpropanamide
CID 8675560
N-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide
CID 24519556
N-cyclopropyl-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46639725
(2S)-N-cyclopropyl-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7898028
(2R)-N-cyclopentyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 40810925
N-cyclohexyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 4817731
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 16570754
(2S)-N-cyclopentyl-2-[[5-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 25442332
2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 46639869
N-(cyclopropylcarbamoyl)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46674836

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 46639826) is N-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CCc1cccc(CC)c1Nc1nnc(SC(C)C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is KLLSZDIMHUMSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS2/c1-4-12-7-6-8-13(5-2)15(12)20-17-21-22-18(25-17)24-11(3)16(23)19-14-9-10-14/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of N-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
N-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 376.55 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 46639826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).