4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

C18H29N5O3S — CID 166624227

About 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 166624227) has the molecular formula C18H29N5O3S and a molecular weight of 395.53 g/mol. Its IUPAC name is 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 166624227
• Molecular Formula: C18H29N5O3S
• Molecular Weight: 395.53 g/mol
• Exact Mass: 395.20
• IUPAC Name: 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
• SMILES: CNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2sc(N3CCOCC3)nc2C)N1C
• InChI: InChI=1S/C18H29N5O3S/c1-12-16(27-18(21-12)23-6-8-26-9-7-23)17(25)20-11-14-5-4-13(22(14)3)10-15(24)19-2/h13-14H,4-11H2,1-3H3,(H,19,24)(H,20,25)/t13-,14+/m1/s1
• InChIKey: QKYQQHQMSUWAST-KGLIPLIRSA-N
• XLogP: 0.62
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.53
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 166624227) is 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is CNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2sc(N3CCOCC3)nc2C)N1C.

What is the InChIKey of 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?

The InChIKey is QKYQQHQMSUWAST-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H29N5O3S/c1-12-16(27-18(21-12)23-6-8-26-9-7-23)17(25)20-11-14-5-4-13(22(14)3)10-15(24)19-2/h13-14H,4-11H2,1-3H3,(H,19,24)(H,20,25)/t13-,14+/m1/s1.

What are the key properties of 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?

4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166624227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).