5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

C25H30Cl2N4O4S2 — CID 121308286

About 5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 121308286) has the molecular formula C25H30Cl2N4O4S2 and a molecular weight of 585.58 g/mol. Its IUPAC name is 5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 121308286
• Molecular Formula: C25H30Cl2N4O4S2
• Molecular Weight: 585.58 g/mol
• Exact Mass: 584.11
• IUPAC Name: 5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
• SMILES: CCN(CC)C(=O)c1nc(-c2cccc(C(C)(C)O)n2)sc1-c1ccc(S(=O)(=O)NC(C)C)c(Cl)c1Cl
• InChI: InChI=1S/C25H30Cl2N4O4S2/c1-7-31(8-2)24(32)21-22(36-23(29-21)16-10-9-11-18(28-16)25(5,6)33)15-12-13-17(20(27)19(15)26)37(34,35)30-14(3)4/h9-14,30,33H,7-8H2,1-6H3
• InChIKey: PEEBZXGYVKLVGO-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 112.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.58
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (CID 121308286) is 5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)c1nc(-c2cccc(C(C)(C)O)n2)sc1-c1ccc(S(=O)(=O)NC(C)C)c(Cl)c1Cl.

What is the InChIKey of 5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?

The InChIKey is PEEBZXGYVKLVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N4O4S2/c1-7-31(8-2)24(32)21-22(36-23(29-21)16-10-9-11-18(28-16)25(5,6)33)15-12-13-17(20(27)19(15)26)37(34,35)30-14(3)4/h9-14,30,33H,7-8H2,1-6H3.

What are the key properties of 5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?

5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 585.58 g/mol, XLogP of 5.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,3-dichloro-4-(propan-2-ylsulfamoyl)phenyl]-N,N-diethyl-2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 121308286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).