2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C18H20N4O2S2 — CID 22580168

IUPAC2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc2[nH]c(CSCC(=O)Nc3nnc(C(C)C)s3)cc(=O)c2c1
InChIInChI=1S/C18H20N4O2S2/c1-10(2)17-21-22-18(26-17)20-16(24)9-25-8-12-7-15(23)13-6-11(3)4-5-14(13)19-12/h4-7,10H,8-9H2,1-3H3,(H,19,23)(H,20,22,24)
InChIKeyIPUAGHNMAGYPDM-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.68
Rot. Bonds6

About 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 22580168) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID22580168
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC Name2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc2[nH]c(CSCC(=O)Nc3nnc(C(C)C)s3)cc(=O)c2c1
InChIInChI=1S/C18H20N4O2S2/c1-10(2)17-21-22-18(26-17)20-16(24)9-25-8-12-7-15(23)13-6-11(3)4-5-14(13)19-12/h4-7,10H,8-9H2,1-3H3,(H,19,23)(H,20,22,24)
InChIKeyIPUAGHNMAGYPDM-UHFFFAOYSA-N
XLogP3.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 22580168) is 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is Cc1ccc2[nH]c(CSCC(=O)Nc3nnc(C(C)C)s3)cc(=O)c2c1.
What is the InChIKey of 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is IPUAGHNMAGYPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-10(2)17-21-22-18(26-17)20-16(24)9-25-8-12-7-15(23)13-6-11(3)4-5-14(13)19-12/h4-7,10H,8-9H2,1-3H3,(H,19,23)(H,20,22,24).
What are the key properties of 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 388.52 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 22580168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).