1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea

C25H20N10O3S2 — CID 68640717

About 1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea

1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea (PubChem CID 68640717) has the molecular formula C25H20N10O3S2 and a molecular weight of 572.64 g/mol. Its IUPAC name is 1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea
• PubChem CID: 68640717
• Molecular Formula: C25H20N10O3S2
• Molecular Weight: 572.64 g/mol
• Exact Mass: 572.12
• IUPAC Name: 1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea
• SMILES: CCNC(=O)Nc1cc(-c2nc(-c3ccccc3)cs2)c(-c2nc(-c3ncnn3C)c(-c3n[nH]c(=O)o3)s2)cn1
• InChI: InChI=1S/C25H20N10O3S2/c1-3-26-24(36)31-17-9-14(22-30-16(11-39-22)13-7-5-4-6-8-13)15(10-27-17)23-32-18(20-28-12-29-35(20)2)19(40-23)21-33-34-25(37)38-21/h4-12H,3H2,1-2H3,(H,34,37)(H2,26,27,31,36)
• InChIKey: OWAHRXJOCWBFES-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 169.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.64
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea?

The IUPAC name of 1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea (CID 68640717) is 1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea.

What is the SMILES notation for 1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea?

The canonical SMILES for 1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea is CCNC(=O)Nc1cc(-c2nc(-c3ccccc3)cs2)c(-c2nc(-c3ncnn3C)c(-c3n[nH]c(=O)o3)s2)cn1.

What is the InChIKey of 1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea?

The InChIKey is OWAHRXJOCWBFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N10O3S2/c1-3-26-24(36)31-17-9-14(22-30-16(11-39-22)13-7-5-4-6-8-13)15(10-27-17)23-32-18(20-28-12-29-35(20)2)19(40-23)21-33-34-25(37)38-21/h4-12H,3H2,1-2H3,(H,34,37)(H2,26,27,31,36).

What are the key properties of 1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea?

1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea has a molecular weight of 572.64 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[5-[4-(2-methyl-1,2,4-triazol-3-yl)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-2-pyridinyl]urea is sourced from PubChem (CID 68640717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).