(2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H24N4O3S2 — CID 94635770

About (2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 94635770) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is (2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• PubChem CID: 94635770
• Molecular Formula: C17H24N4O3S2
• Molecular Weight: 396.54 g/mol
• Exact Mass: 396.13
• IUPAC Name: (2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• SMILES: CCCc1nc(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)sc1CC
• InChI: InChI=1S/C17H24N4O3S2/c1-5-7-12-13(6-2)26-17(18-12)20-15(22)9-25-11(4)16(23)19-14-8-10(3)24-21-14/h8,11H,5-7,9H2,1-4H3,(H,18,20,22)(H,19,21,23)/t11-/m1/s1
• InChIKey: YCCMIBWADQLHAT-LLVKDONJSA-N
• XLogP: 3.65
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.54
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The IUPAC name of (2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 94635770) is (2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

What is the SMILES notation for (2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The canonical SMILES for (2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CCCc1nc(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)sc1CC.

What is the InChIKey of (2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The InChIKey is YCCMIBWADQLHAT-LLVKDONJSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-5-7-12-13(6-2)26-17(18-12)20-15(22)9-25-11(4)16(23)19-14-8-10(3)24-21-14/h8,11H,5-7,9H2,1-4H3,(H,18,20,22)(H,19,21,23)/t11-/m1/s1.

What are the key properties of (2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

(2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 396.54 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[2-[(5-ethyl-4-propyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 94635770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).