6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylate

C56H60N14O10S4 — CID 164999731

About 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylate

6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylate (PubChem CID 164999731) has the molecular formula C56H60N14O10S4 and a molecular weight of 1217.45 g/mol. Its IUPAC name is 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylate.

Molecular Properties

• Compound Name: 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylate
• PubChem CID: 164999731
• Molecular Formula: C56H60N14O10S4
• Molecular Weight: 1217.45 g/mol
• Exact Mass: 1216.35
• IUPAC Name: 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylate
• SMILES: COC(=O)c1ccc2c(c1)nc(Cc1nc3c(s1)COCC3)n2C.COCCNC(=O)c1ccc2c(c1)nc(Nc1nc3c(s1)COCC3)n2C.Cn1c(Nc2nc3c(s2)COCC3)nc2cc(C(=O)O)ccc21.Nc1nc2c(s1)COCC2
• InChI: InChI=1S/C18H21N5O3S.C17H17N3O3S.C15H14N4O3S.C6H8N2OS/c1-23-14-4-3-11(16(24)19-6-8-25-2)9-13(14)20-17(23)22-18-21-12-5-7-26-10-15(12)27-18;1-20-13-4-3-10(17(21)22-2)7-12(13)18-15(20)8-16-19-11-5-6-23-9-14(11)24-16;1-19-11-3-2-8(13(20)21)6-10(11)16-14(19)18-15-17-9-4-5-22-7-12(9)23-15;7-6-8-4-1-2-9-3-5(4)10-6/h3-4,9H,5-8,10H2,1-2H3,(H,19,24)(H,20,21,22);3-4,7H,5-6,8-9H2,1-2H3;2-3,6H,4-5,7H2,1H3,(H,20,21)(H,16,17,18);1-3H2,(H2,7,8)
• InChIKey: IBQFVBBRNBHGTO-UHFFFAOYSA-N
• XLogP: 8.04
• TPSA: 293.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1217.45
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylate?

The IUPAC name of 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylate (CID 164999731) is 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylate.

What is the SMILES notation for 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylate?

The canonical SMILES for 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(Cc1nc3c(s1)COCC3)n2C.COCCNC(=O)c1ccc2c(c1)nc(Nc1nc3c(s1)COCC3)n2C.Cn1c(Nc2nc3c(s2)COCC3)nc2cc(C(=O)O)ccc21.Nc1nc2c(s1)COCC2.

What is the InChIKey of 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylate?

The InChIKey is IBQFVBBRNBHGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S.C17H17N3O3S.C15H14N4O3S.C6H8N2OS/c1-23-14-4-3-11(16(24)19-6-8-25-2)9-13(14)20-17(23)22-18-21-12-5-7-26-10-15(12)27-18;1-20-13-4-3-10(17(21)22-2)7-12(13)18-15(20)8-16-19-11-5-6-23-9-14(11)24-16;1-19-11-3-2-8(13(20)21)6-10(11)16-14(19)18-15-17-9-4-5-22-7-12(9)23-15;7-6-8-4-1-2-9-3-5(4)10-6/h3-4,9H,5-8,10H2,1-2H3,(H,19,24)(H,20,21,22);3-4,7H,5-6,8-9H2,1-2H3;2-3,6H,4-5,7H2,1H3,(H,20,21)(H,16,17,18);1-3H2,(H2,7,8).

What are the key properties of 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylate?

6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylate has a molecular weight of 1217.45 g/mol, XLogP of 8.04, 12 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylate is sourced from PubChem (CID 164999731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).