2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide

C16H17N5O2S2 — CID 17427141

IUPAC2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide
SMILESCOCCNc1nnc(SCC(=O)Nc2cccc3ncccc23)s1
InChIInChI=1S/C16H17N5O2S2/c1-23-9-8-18-15-20-21-16(25-15)24-10-14(22)19-13-6-2-5-12-11(13)4-3-7-17-12/h2-7H,8-10H2,1H3,(H,18,20)(H,19,22)
InChIKeyKJIXVFRPWDBAGA-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.88
Rot. Bonds8

About 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide

2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide (PubChem CID 17427141) has the molecular formula C16H17N5O2S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide
PubChem CID17427141
Molecular FormulaC16H17N5O2S2
Molecular Weight375.48 g/mol
Exact Mass375.08
IUPAC Name2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide
SMILESCOCCNc1nnc(SCC(=O)Nc2cccc3ncccc23)s1
InChIInChI=1S/C16H17N5O2S2/c1-23-9-8-18-15-20-21-16(25-15)24-10-14(22)19-13-6-2-5-12-11(13)4-3-7-17-12/h2-7H,8-10H2,1H3,(H,18,20)(H,19,22)
InChIKeyKJIXVFRPWDBAGA-UHFFFAOYSA-N
XLogP2.88
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7485268
N-(3-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7965254
N-(4-bromo-2-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 42975175
N-(4-acetylphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7969830
N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7969674
N-(2,6-dichloro-3-methylphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7485248
ethyl 3-[[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-1-benzofuran-2-carboxylate
CID 4794545
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 2466930
N-naphthalen-1-yl-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 42014805
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43036478
1-(3,4-dimethoxyphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7965296
N-ethyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 43036481

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide?
The IUPAC name of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide (CID 17427141) is 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide is COCCNc1nnc(SCC(=O)Nc2cccc3ncccc23)s1.
What is the InChIKey of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide?
The InChIKey is KJIXVFRPWDBAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S2/c1-23-9-8-18-15-20-21-16(25-15)24-10-14(22)19-13-6-2-5-12-11(13)4-3-7-17-12/h2-7H,8-10H2,1H3,(H,18,20)(H,19,22).
What are the key properties of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide?
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide has a molecular weight of 375.48 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide is sourced from PubChem (CID 17427141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).