N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen

C20H22N4O2S2 — CID 144980284

About N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen

N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen (PubChem CID 144980284) has the molecular formula C20H22N4O2S2 and a molecular weight of 414.56 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen
• PubChem CID: 144980284
• Molecular Formula: C20H22N4O2S2
• Molecular Weight: 414.56 g/mol
• Exact Mass: 414.12
• IUPAC Name: N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen
• SMILES: Cc1nc2ccc(NC(=O)C3=CCc4sc(N5CCCCC5)nc4S3)cc2o1.[H][H]
• InChI: InChI=1S/C20H20N4O2S2.H2/c1-12-21-14-6-5-13(11-15(14)26-12)22-18(25)16-7-8-17-19(27-16)23-20(28-17)24-9-3-2-4-10-24;/h5-7,11H,2-4,8-10H2,1H3,(H,22,25);1H
• InChIKey: KZTSWHVRBBQKRA-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.56
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen?

The IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen (CID 144980284) is N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen.

What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen?

The canonical SMILES for N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen is Cc1nc2ccc(NC(=O)C3=CCc4sc(N5CCCCC5)nc4S3)cc2o1.[H][H].

What is the InChIKey of N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen?

The InChIKey is KZTSWHVRBBQKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2.H2/c1-12-21-14-6-5-13(11-15(14)26-12)22-18(25)16-7-8-17-19(27-16)23-20(28-17)24-9-3-2-4-10-24;/h5-7,11H,2-4,8-10H2,1H3,(H,22,25);1H.

What are the key properties of N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen?

N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen has a molecular weight of 414.56 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 144980284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).