1-cyano-N-[3-[2-[2-[2-cyano-3-(ethylamino)-3-oxopropyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]ethylamino]phenyl]cyclopropane-1-carboxamide

C24H30N6O3S — CID 59203117

About 1-cyano-N-[3-[2-[2-[2-cyano-3-(ethylamino)-3-oxopropyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]ethylamino]phenyl]cyclopropane-1-carboxamide

1-cyano-N-[3-[2-[2-[2-cyano-3-(ethylamino)-3-oxopropyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]ethylamino]phenyl]cyclopropane-1-carboxamide (PubChem CID 59203117) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is 1-cyano-N-[3-[2-[2-[2-cyano-3-(ethylamino)-3-oxopropyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]ethylamino]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-cyano-N-[3-[2-[2-[2-cyano-3-(ethylamino)-3-oxopropyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]ethylamino]phenyl]cyclopropane-1-carboxamide
• PubChem CID: 59203117
• Molecular Formula: C24H30N6O3S
• Molecular Weight: 482.61 g/mol
• Exact Mass: 482.21
• IUPAC Name: 1-cyano-N-[3-[2-[2-[2-cyano-3-(ethylamino)-3-oxopropyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]ethylamino]phenyl]cyclopropane-1-carboxamide
• SMILES: CCNC(=O)C(C#N)CC1SC(CCNc2cccc(NC(=O)C3(C#N)CC3)c2)C(=O)N1CC
• InChI: InChI=1S/C24H30N6O3S/c1-3-27-21(31)16(14-25)12-20-30(4-2)22(32)19(34-20)8-11-28-17-6-5-7-18(13-17)29-23(33)24(15-26)9-10-24/h5-7,13,16,19-20,28H,3-4,8-12H2,1-2H3,(H,27,31)(H,29,33)
• InChIKey: RFZNJMUWYMSZTB-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 138.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.61
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[3-[2-[2-[2-cyano-3-(ethylamino)-3-oxopropyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]ethylamino]phenyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-cyano-N-[3-[2-[2-[2-cyano-3-(ethylamino)-3-oxopropyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]ethylamino]phenyl]cyclopropane-1-carboxamide (CID 59203117) is 1-cyano-N-[3-[2-[2-[2-cyano-3-(ethylamino)-3-oxopropyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]ethylamino]phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-cyano-N-[3-[2-[2-[2-cyano-3-(ethylamino)-3-oxopropyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]ethylamino]phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-cyano-N-[3-[2-[2-[2-cyano-3-(ethylamino)-3-oxopropyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]ethylamino]phenyl]cyclopropane-1-carboxamide is CCNC(=O)C(C#N)CC1SC(CCNc2cccc(NC(=O)C3(C#N)CC3)c2)C(=O)N1CC.

What is the InChIKey of 1-cyano-N-[3-[2-[2-[2-cyano-3-(ethylamino)-3-oxopropyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]ethylamino]phenyl]cyclopropane-1-carboxamide?

The InChIKey is RFZNJMUWYMSZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-3-27-21(31)16(14-25)12-20-30(4-2)22(32)19(34-20)8-11-28-17-6-5-7-18(13-17)29-23(33)24(15-26)9-10-24/h5-7,13,16,19-20,28H,3-4,8-12H2,1-2H3,(H,27,31)(H,29,33).

What are the key properties of 1-cyano-N-[3-[2-[2-[2-cyano-3-(ethylamino)-3-oxopropyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]ethylamino]phenyl]cyclopropane-1-carboxamide?

1-cyano-N-[3-[2-[2-[2-cyano-3-(ethylamino)-3-oxopropyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]ethylamino]phenyl]cyclopropane-1-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 2.69, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyano-N-[3-[2-[2-[2-cyano-3-(ethylamino)-3-oxopropyl]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]ethylamino]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59203117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).