2-methyl-N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxamide

C34H41N5O6S — CID 138665837

About 2-methyl-N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxamide

2-methyl-N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxamide (PubChem CID 138665837) has the molecular formula C34H41N5O6S and a molecular weight of 647.80 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 138665837
• Molecular Formula: C34H41N5O6S
• Molecular Weight: 647.80 g/mol
• Exact Mass: 647.28
• IUPAC Name: 2-methyl-N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1ncc(C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)s1
• InChI: InChI=1S/C34H41N5O6S/c1-20(2)14-25(30(41)34(4)19-45-34)37-31(42)26(16-22-11-12-23-8-5-6-9-24(23)15-22)38-32(43)27-10-7-13-39(27)29(40)18-36-33(44)28-17-35-21(3)46-28/h5-6,8-9,11-12,15,17,20,25-27H,7,10,13-14,16,18-19H2,1-4H3,(H,36,44)(H,37,42)(H,38,43)/t25-,26-,27-,34+/m0/s1
• InChIKey: FCXCUGHCJAFYBF-CBUCOWSNSA-N
• XLogP: 2.94
• TPSA: 150.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	647.80
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-methyl-N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxamide (CID 138665837) is 2-methyl-N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-methyl-N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-methyl-N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)s1.

What is the InChIKey of 2-methyl-N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxamide?

The InChIKey is FCXCUGHCJAFYBF-CBUCOWSNSA-N. The full InChI is InChI=1S/C34H41N5O6S/c1-20(2)14-25(30(41)34(4)19-45-34)37-31(42)26(16-22-11-12-23-8-5-6-9-24(23)15-22)38-32(43)27-10-7-13-39(27)29(40)18-36-33(44)28-17-35-21(3)46-28/h5-6,8-9,11-12,15,17,20,25-27H,7,10,13-14,16,18-19H2,1-4H3,(H,36,44)(H,37,42)(H,38,43)/t25-,26-,27-,34+/m0/s1.

What are the key properties of 2-methyl-N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxamide?

2-methyl-N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 647.80 g/mol, XLogP of 2.94, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-[(2S)-2-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 138665837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).