N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C16H21N5O3S2 — CID 40715191

About N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 40715191) has the molecular formula C16H21N5O3S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 40715191
• Molecular Formula: C16H21N5O3S2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.11
• IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• SMILES: CC[C@H](C)NC(=O)NC(=O)CSc1nnc(Nc2ccccc2OC)s1
• InChI: InChI=1S/C16H21N5O3S2/c1-4-10(2)17-14(23)19-13(22)9-25-16-21-20-15(26-16)18-11-7-5-6-8-12(11)24-3/h5-8,10H,4,9H2,1-3H3,(H,18,20)(H2,17,19,22,23)/t10-/m0/s1
• InChIKey: ONIUYQNMZXWKHE-JTQLQIEISA-N
• XLogP: 3.01
• TPSA: 105.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 40715191) is N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CC[C@H](C)NC(=O)NC(=O)CSc1nnc(Nc2ccccc2OC)s1.

What is the InChIKey of N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is ONIUYQNMZXWKHE-JTQLQIEISA-N. The full InChI is InChI=1S/C16H21N5O3S2/c1-4-10(2)17-14(23)19-13(22)9-25-16-21-20-15(26-16)18-11-7-5-6-8-12(11)24-3/h5-8,10H,4,9H2,1-3H3,(H,18,20)(H2,17,19,22,23)/t10-/m0/s1.

What are the key properties of N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 395.51 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-butan-2-yl]carbamoyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 40715191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).