cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate

C83H93F2N5O16S5 — CID 167607442

About cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate

cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 167607442) has the molecular formula C83H93F2N5O16S5 and a molecular weight of 1615.01 g/mol. Its IUPAC name is cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
• PubChem CID: 167607442
• Molecular Formula: C83H93F2N5O16S5
• Molecular Weight: 1615.01 g/mol
• Exact Mass: 1613.52
• IUPAC Name: cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
• SMILES: CCOc1ccc(-c2nc(C(=O)OC(C)C(C)C)cs2)cc1.CCOc1ccc(-c2nc(C(=O)OC(CF)CF)cs2)cc1.CCOc1ccc(-c2nc(C(=O)OC3CCCCC3)cs2)cc1.CCOc1ccc(-c2nc(C(=O)OCC3CC3)cs2)cc1.CCOc1ccc(-c2nc(C(=O)OCC3CCCO3)cs2)cc1
• InChI: InChI=1S/C18H21NO3S.C17H19NO4S.C17H21NO3S.C16H17NO3S.C15H15F2NO3S/c1-2-21-14-10-8-13(9-11-14)17-19-16(12-23-17)18(20)22-15-6-4-3-5-7-15;1-2-20-13-7-5-12(6-8-13)16-18-15(11-23-16)17(19)22-10-14-4-3-9-21-14;1-5-20-14-8-6-13(7-9-14)16-18-15(10-22-16)17(19)21-12(4)11(2)3;1-2-19-13-7-5-12(6-8-13)15-17-14(10-21-15)16(18)20-9-11-3-4-11;1-2-20-11-5-3-10(4-6-11)14-18-13(9-22-14)15(19)21-12(7-16)8-17/h8-12,15H,2-7H2,1H3;5-8,11,14H,2-4,9-10H2,1H3;6-12H,5H2,1-4H3;5-8,10-11H,2-4,9H2,1H3;3-6,9,12H,2,7-8H2,1H3
• InChIKey: KOPOPIBXXBIZPI-UHFFFAOYSA-N
• XLogP: 20.10
• TPSA: 251.33 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1615.01
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?

The IUPAC name of cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate (CID 167607442) is cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate.

What is the SMILES notation for cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?

The canonical SMILES for cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate is CCOc1ccc(-c2nc(C(=O)OC(C)C(C)C)cs2)cc1.CCOc1ccc(-c2nc(C(=O)OC(CF)CF)cs2)cc1.CCOc1ccc(-c2nc(C(=O)OC3CCCCC3)cs2)cc1.CCOc1ccc(-c2nc(C(=O)OCC3CC3)cs2)cc1.CCOc1ccc(-c2nc(C(=O)OCC3CCCO3)cs2)cc1.

What is the InChIKey of cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?

The InChIKey is KOPOPIBXXBIZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S.C17H19NO4S.C17H21NO3S.C16H17NO3S.C15H15F2NO3S/c1-2-21-14-10-8-13(9-11-14)17-19-16(12-23-17)18(20)22-15-6-4-3-5-7-15;1-2-20-13-7-5-12(6-8-13)16-18-15(11-23-16)17(19)22-10-14-4-3-9-21-14;1-5-20-14-8-6-13(7-9-14)16-18-15(10-22-16)17(19)21-12(4)11(2)3;1-2-19-13-7-5-12(6-8-13)15-17-14(10-21-15)16(18)20-9-11-3-4-11;1-2-20-11-5-3-10(4-6-11)14-18-13(9-22-14)15(19)21-12(7-16)8-17/h8-12,15H,2-7H2,1H3;5-8,11,14H,2-4,9-10H2,1H3;6-12H,5H2,1-4H3;5-8,10-11H,2-4,9H2,1H3;3-6,9,12H,2,7-8H2,1H3.

What are the key properties of cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?

cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 1615.01 g/mol, XLogP of 20.10, 30 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 167607442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).