N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide

C22H32N6O5S — CID 135581968

About N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide

N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide (PubChem CID 135581968) has the molecular formula C22H32N6O5S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide
• PubChem CID: 135581968
• Molecular Formula: C22H32N6O5S
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.22
• IUPAC Name: N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide
• SMILES: CN1CC(c2ccc(NC(=O)c3ncc(O)[nH]3)c(N3CCC(CCO)CC3)c2)CN(C)S1(=O)=O
• InChI: InChI=1S/C22H32N6O5S/c1-26-13-17(14-27(2)34(26,32)33)16-3-4-18(24-22(31)21-23-12-20(30)25-21)19(11-16)28-8-5-15(6-9-28)7-10-29/h3-4,11-12,15,17,29-30H,5-10,13-14H2,1-2H3,(H,23,25)(H,24,31)
• InChIKey: DQWMQPIFSMWAPN-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 142.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.60
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide?

The IUPAC name of N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide (CID 135581968) is N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide is CN1CC(c2ccc(NC(=O)c3ncc(O)[nH]3)c(N3CCC(CCO)CC3)c2)CN(C)S1(=O)=O.

What is the InChIKey of N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide?

The InChIKey is DQWMQPIFSMWAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O5S/c1-26-13-17(14-27(2)34(26,32)33)16-3-4-18(24-22(31)21-23-12-20(30)25-21)19(11-16)28-8-5-15(6-9-28)7-10-29/h3-4,11-12,15,17,29-30H,5-10,13-14H2,1-2H3,(H,23,25)(H,24,31).

What are the key properties of N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide?

N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide is sourced from PubChem (CID 135581968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).