N-cyclohexyl-2-[2-(ethylcarbamoylamino)-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide

C27H30N8O3S — CID 68640230

About N-cyclohexyl-2-[2-(ethylcarbamoylamino)-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide

N-cyclohexyl-2-[2-(ethylcarbamoylamino)-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 68640230) has the molecular formula C27H30N8O3S and a molecular weight of 546.66 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(ethylcarbamoylamino)-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[2-(ethylcarbamoylamino)-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 68640230
• Molecular Formula: C27H30N8O3S
• Molecular Weight: 546.66 g/mol
• Exact Mass: 546.22
• IUPAC Name: N-cyclohexyl-2-[2-(ethylcarbamoylamino)-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: CCNC(=O)Nc1cc(-c2nc(C)c(C(=O)NC3CCCCC3)s2)c(-c2cncc(-c3nnc(C)o3)c2)cn1
• InChI: InChI=1S/C27H30N8O3S/c1-4-29-27(37)33-22-11-20(26-31-15(2)23(39-26)24(36)32-19-8-6-5-7-9-19)21(14-30-22)17-10-18(13-28-12-17)25-35-34-16(3)38-25/h10-14,19H,4-9H2,1-3H3,(H,32,36)(H2,29,30,33,37)
• InChIKey: LSCSZMKMKIEGNT-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 147.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.66
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(ethylcarbamoylamino)-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-cyclohexyl-2-[2-(ethylcarbamoylamino)-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 68640230) is N-cyclohexyl-2-[2-(ethylcarbamoylamino)-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-cyclohexyl-2-[2-(ethylcarbamoylamino)-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-cyclohexyl-2-[2-(ethylcarbamoylamino)-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide is CCNC(=O)Nc1cc(-c2nc(C)c(C(=O)NC3CCCCC3)s2)c(-c2cncc(-c3nnc(C)o3)c2)cn1.

What is the InChIKey of N-cyclohexyl-2-[2-(ethylcarbamoylamino)-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is LSCSZMKMKIEGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O3S/c1-4-29-27(37)33-22-11-20(26-31-15(2)23(39-26)24(36)32-19-8-6-5-7-9-19)21(14-30-22)17-10-18(13-28-12-17)25-35-34-16(3)38-25/h10-14,19H,4-9H2,1-3H3,(H,32,36)(H2,29,30,33,37).

What are the key properties of N-cyclohexyl-2-[2-(ethylcarbamoylamino)-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide?

N-cyclohexyl-2-[2-(ethylcarbamoylamino)-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 546.66 g/mol, XLogP of 5.14, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[2-(ethylcarbamoylamino)-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 68640230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).