ethyl 5-chloro-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxybenzoyl]amino]-1,3-thiazole-4-carboxylate

C27H24ClN5O7S — CID 140587650

About ethyl 5-chloro-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxybenzoyl]amino]-1,3-thiazole-4-carboxylate

ethyl 5-chloro-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxybenzoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 140587650) has the molecular formula C27H24ClN5O7S and a molecular weight of 598.04 g/mol. Its IUPAC name is ethyl 5-chloro-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxybenzoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-chloro-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxybenzoyl]amino]-1,3-thiazole-4-carboxylate
• PubChem CID: 140587650
• Molecular Formula: C27H24ClN5O7S
• Molecular Weight: 598.04 g/mol
• Exact Mass: 597.11
• IUPAC Name: ethyl 5-chloro-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxybenzoyl]amino]-1,3-thiazole-4-carboxylate
• SMILES: CCOC(=O)c1nc(NC(=O)c2cc(Oc3ccc(-c4nnc(C)o4)cc3)cc(O[C@H]3CCN(C)C3=O)c2)sc1Cl
• InChI: InChI=1S/C27H24ClN5O7S/c1-4-37-26(36)21-22(28)41-27(29-21)30-23(34)16-11-18(13-19(12-16)40-20-9-10-33(3)25(20)35)39-17-7-5-15(6-8-17)24-32-31-14(2)38-24/h5-8,11-13,20H,4,9-10H2,1-3H3,(H,29,30,34)/t20-/m0/s1
• InChIKey: YDROKHPGBMLRHU-FQEVSTJZSA-N
• XLogP: 4.99
• TPSA: 145.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.04
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxybenzoyl]amino]-1,3-thiazole-4-carboxylate?

The IUPAC name of ethyl 5-chloro-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxybenzoyl]amino]-1,3-thiazole-4-carboxylate (CID 140587650) is ethyl 5-chloro-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxybenzoyl]amino]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for ethyl 5-chloro-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxybenzoyl]amino]-1,3-thiazole-4-carboxylate?

The canonical SMILES for ethyl 5-chloro-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxybenzoyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NC(=O)c2cc(Oc3ccc(-c4nnc(C)o4)cc3)cc(O[C@H]3CCN(C)C3=O)c2)sc1Cl.

What is the InChIKey of ethyl 5-chloro-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxybenzoyl]amino]-1,3-thiazole-4-carboxylate?

The InChIKey is YDROKHPGBMLRHU-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H24ClN5O7S/c1-4-37-26(36)21-22(28)41-27(29-21)30-23(34)16-11-18(13-19(12-16)40-20-9-10-33(3)25(20)35)39-17-7-5-15(6-8-17)24-32-31-14(2)38-24/h5-8,11-13,20H,4,9-10H2,1-3H3,(H,29,30,34)/t20-/m0/s1.

What are the key properties of ethyl 5-chloro-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxybenzoyl]amino]-1,3-thiazole-4-carboxylate?

ethyl 5-chloro-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxybenzoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 598.04 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-chloro-2-[[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]oxybenzoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 140587650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).