5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

C25H28F2N4O2S — CID 123377087

About 5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 123377087) has the molecular formula C25H28F2N4O2S and a molecular weight of 486.59 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 123377087
• Molecular Formula: C25H28F2N4O2S
• Molecular Weight: 486.59 g/mol
• Exact Mass: 486.19
• IUPAC Name: 5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
• SMILES: CC(C)C1C(C)CC(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)CC1O
• InChI: InChI=1S/C25H28F2N4O2S/c1-12(2)20-13(3)9-14(10-19(20)32)15-7-8-29-11-18(15)30-24(33)22-23(28)34-25(31-22)21-16(26)5-4-6-17(21)27/h4-8,11-14,19-20,32H,9-10,28H2,1-3H3,(H,30,33)
• InChIKey: PIMGHRCLWFMBLH-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 101.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.59
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 123377087) is 5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is CC(C)C1C(C)CC(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)CC1O.

What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?

The InChIKey is PIMGHRCLWFMBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O2S/c1-12(2)20-13(3)9-14(10-19(20)32)15-7-8-29-11-18(15)30-24(33)22-23(28)34-25(31-22)21-16(26)5-4-6-17(21)27/h4-8,11-14,19-20,32H,9-10,28H2,1-3H3,(H,30,33).

What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?

5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 5.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123377087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).