2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen

C24H41N5O4S — CID 143242244

IUPAC2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen
SMILESCCNC(=O)C(C#N)C1S[C@H](CNc2ccc(C)c(OCCN3CCOCC3)c2)C(O)N1CC.[H][H].[H][H]
InChIInChI=1S/C24H37N5O4S.2H2/c1-4-26-22(30)19(15-25)24-29(5-2)23(31)21(34-24)16-27-18-7-6-17(3)20(14-18)33-13-10-28-8-11-32-12-9-28;;/h6-7,14,19,21,23-24,27,31H,4-5,8-13,16H2,1-3H3,(H,26,30);2*1H/t19?,21-,23?,24?;;/m1../s1
InChIKeyHEXUHBSKJBMWLL-XGJVMTEASA-N
MW495.69 g/mol
LogP1.97
Rot. Bonds11

About 2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen

2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen (PubChem CID 143242244) has the molecular formula C24H41N5O4S and a molecular weight of 495.69 g/mol. Its IUPAC name is 2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen
PubChem CID143242244
Molecular FormulaC24H41N5O4S
Molecular Weight495.69 g/mol
Exact Mass495.29
IUPAC Name2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen
SMILESCCNC(=O)C(C#N)C1S[C@H](CNc2ccc(C)c(OCCN3CCOCC3)c2)C(O)N1CC.[H][H].[H][H]
InChIInChI=1S/C24H37N5O4S.2H2/c1-4-26-22(30)19(15-25)24-29(5-2)23(31)21(34-24)16-27-18-7-6-17(3)20(14-18)33-13-10-28-8-11-32-12-9-28;;/h6-7,14,19,21,23-24,27,31H,4-5,8-13,16H2,1-3H3,(H,26,30);2*1H/t19?,21-,23?,24?;;/m1../s1
InChIKeyHEXUHBSKJBMWLL-XGJVMTEASA-N
XLogP1.97
TPSA110.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.69
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen?
The IUPAC name of 2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen (CID 143242244) is 2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen?
The canonical SMILES for 2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen is CCNC(=O)C(C#N)C1S[C@H](CNc2ccc(C)c(OCCN3CCOCC3)c2)C(O)N1CC.[H][H].[H][H].
What is the InChIKey of 2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen?
The InChIKey is HEXUHBSKJBMWLL-XGJVMTEASA-N. The full InChI is InChI=1S/C24H37N5O4S.2H2/c1-4-26-22(30)19(15-25)24-29(5-2)23(31)21(34-24)16-27-18-7-6-17(3)20(14-18)33-13-10-28-8-11-32-12-9-28;;/h6-7,14,19,21,23-24,27,31H,4-5,8-13,16H2,1-3H3,(H,26,30);2*1H/t19?,21-,23?,24?;;/m1../s1.
What are the key properties of 2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen?
2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen has a molecular weight of 495.69 g/mol, XLogP of 1.97, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-2-[(5R)-3-ethyl-4-hydroxy-5-[[4-methyl-3-(2-morpholin-4-ylethoxy)anilino]methyl]-1,3-thiazolidin-2-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 143242244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).