(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C19H24N6OS2 — CID 8868881

About (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 8868881) has the molecular formula C19H24N6OS2 and a molecular weight of 416.58 g/mol. Its IUPAC name is (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
• PubChem CID: 8868881
• Molecular Formula: C19H24N6OS2
• Molecular Weight: 416.58 g/mol
• Exact Mass: 416.15
• IUPAC Name: (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
• SMILES: CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2C)s1
• InChI: InChI=1S/C19H24N6OS2/c1-5-13(3)25-16(10-11-20-25)22-17(26)14(4)27-19-24-23-18(28-19)21-15-9-7-6-8-12(15)2/h6-11,13-14H,5H2,1-4H3,(H,21,23)(H,22,26)/t13-,14-/m1/s1
• InChIKey: GHXTYBQIWXQVDU-ZIAGYGMSSA-N
• XLogP: 4.88
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.58
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 8868881) is (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

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

The canonical SMILES for (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2C)s1.

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

The InChIKey is GHXTYBQIWXQVDU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H24N6OS2/c1-5-13(3)25-16(10-11-20-25)22-17(26)14(4)27-19-24-23-18(28-19)21-15-9-7-6-8-12(15)2/h6-11,13-14H,5H2,1-4H3,(H,21,23)(H,22,26)/t13-,14-/m1/s1.

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

(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 416.58 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 8868881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).