(2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide

C19H22N4OS2 — CID 7837022

About (2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide

(2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 7837022) has the molecular formula C19H22N4OS2 and a molecular weight of 386.55 g/mol. Its IUPAC name is (2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
• PubChem CID: 7837022
• Molecular Formula: C19H22N4OS2
• Molecular Weight: 386.55 g/mol
• Exact Mass: 386.12
• IUPAC Name: (2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
• SMILES: CC[C@@H](C)n1nccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cs1
• InChI: InChI=1S/C19H22N4OS2/c1-4-13(2)23-17(10-11-20-23)22-18(24)14(3)26-19-21-16(12-25-19)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,22,24)/t13-,14+/m1/s1
• InChIKey: XANXTUCSUCPBMY-KGLIPLIRSA-N
• XLogP: 5.10
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.55
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 7837022) is (2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

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

The canonical SMILES for (2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is CC[C@@H](C)n1nccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cs1.

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

The InChIKey is XANXTUCSUCPBMY-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H22N4OS2/c1-4-13(2)23-17(10-11-20-23)22-18(24)14(3)26-19-21-16(12-25-19)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,22,24)/t13-,14+/m1/s1.

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

(2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 386.55 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 7837022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).