2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide

C16H16N6O2S4 — CID 2162577

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccccc2NC(=O)CSc2nnc(C)s2)s1
InChIInChI=1S/C16H16N6O2S4/c1-9-19-21-15(27-9)25-7-13(23)17-11-5-3-4-6-12(11)18-14(24)8-26-16-22-20-10(2)28-16/h3-6H,7-8H2,1-2H3,(H,17,23)(H,18,24)
InChIKeySWZLJWQIXULMET-UHFFFAOYSA-N
MW452.61 g/mol
LogP3.47
Rot. Bonds8

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide (PubChem CID 2162577) has the molecular formula C16H16N6O2S4 and a molecular weight of 452.61 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide
PubChem CID2162577
Molecular FormulaC16H16N6O2S4
Molecular Weight452.61 g/mol
Exact Mass452.02
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccccc2NC(=O)CSc2nnc(C)s2)s1
InChIInChI=1S/C16H16N6O2S4/c1-9-19-21-15(27-9)25-7-13(23)17-11-5-3-4-6-12(11)18-14(24)8-26-16-22-20-10(2)28-16/h3-6H,7-8H2,1-2H3,(H,17,23)(H,18,24)
InChIKeySWZLJWQIXULMET-UHFFFAOYSA-N
XLogP3.47
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.61
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide (CID 2162577) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide is Cc1nnc(SCC(=O)Nc2ccccc2NC(=O)CSc2nnc(C)s2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide?
The InChIKey is SWZLJWQIXULMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S4/c1-9-19-21-15(27-9)25-7-13(23)17-11-5-3-4-6-12(11)18-14(24)8-26-16-22-20-10(2)28-16/h3-6H,7-8H2,1-2H3,(H,17,23)(H,18,24).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide has a molecular weight of 452.61 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 2162577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).