(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

C16H20N6OS2 — CID 9361072

About (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 9361072) has the molecular formula C16H20N6OS2 and a molecular weight of 376.51 g/mol. Its IUPAC name is (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
• PubChem CID: 9361072
• Molecular Formula: C16H20N6OS2
• Molecular Weight: 376.51 g/mol
• Exact Mass: 376.11
• IUPAC Name: (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
• SMILES: CC[C@H](C)n1nccc1NC(=O)[C@@H](C)Sc1n[nH]c(-c2cccs2)n1
• InChI: InChI=1S/C16H20N6OS2/c1-4-10(2)22-13(7-8-17-22)18-15(23)11(3)25-16-19-14(20-21-16)12-6-5-9-24-12/h5-11H,4H2,1-3H3,(H,18,23)(H,19,20,21)/t10-,11+/m0/s1
• InChIKey: INOMCCPDIPBJGP-WDEREUQCSA-N
• XLogP: 3.82
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.51
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?

The IUPAC name of (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 9361072) is (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide.

What is the SMILES notation for (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?

The canonical SMILES for (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide is CC[C@H](C)n1nccc1NC(=O)[C@@H](C)Sc1n[nH]c(-c2cccs2)n1.

What is the InChIKey of (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?

The InChIKey is INOMCCPDIPBJGP-WDEREUQCSA-N. The full InChI is InChI=1S/C16H20N6OS2/c1-4-10(2)22-13(7-8-17-22)18-15(23)11(3)25-16-19-14(20-21-16)12-6-5-9-24-12/h5-11H,4H2,1-3H3,(H,18,23)(H,19,20,21)/t10-,11+/m0/s1.

What are the key properties of (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?

(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 376.51 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 9361072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).