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

C20H27N5O2S2 — CID 24519556

IUPACN-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide
SMILESCCc1cccc(CC)c1Nc1nnc(SCC(=O)N(C)CC(=O)NC2CC2)s1
InChIInChI=1S/C20H27N5O2S2/c1-4-13-7-6-8-14(5-2)18(13)22-19-23-24-20(29-19)28-12-17(27)25(3)11-16(26)21-15-9-10-15/h6-8,15H,4-5,9-12H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyOAAUZOBRKQPFIX-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.24
Rot. Bonds10

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

N-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide (PubChem CID 24519556) has the molecular formula C20H27N5O2S2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide
PubChem CID24519556
Molecular FormulaC20H27N5O2S2
Molecular Weight433.60 g/mol
Exact Mass433.16
IUPAC NameN-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide
SMILESCCc1cccc(CC)c1Nc1nnc(SCC(=O)N(C)CC(=O)NC2CC2)s1
InChIInChI=1S/C20H27N5O2S2/c1-4-13-7-6-8-14(5-2)18(13)22-19-23-24-20(29-19)28-12-17(27)25(3)11-16(26)21-15-9-10-15/h6-8,15H,4-5,9-12H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyOAAUZOBRKQPFIX-UHFFFAOYSA-N
XLogP3.24
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46639826
N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 104590665
N-[5-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 3220484
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 16570754
N-cyclopropyl-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7378189
2-[methyl-[2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 2588989
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24519559
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 55846603
N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24519541
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46639781
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 51190943
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27062722

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide (CID 24519556) is N-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide is CCc1cccc(CC)c1Nc1nnc(SCC(=O)N(C)CC(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide?
The InChIKey is OAAUZOBRKQPFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S2/c1-4-13-7-6-8-14(5-2)18(13)22-19-23-24-20(29-19)28-12-17(27)25(3)11-16(26)21-15-9-10-15/h6-8,15H,4-5,9-12H2,1-3H3,(H,21,26)(H,22,23).
What are the key properties of N-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide?
N-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide has a molecular weight of 433.60 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide is sourced from PubChem (CID 24519556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).