6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazol-5-yl]ethanone

C58H62N12O8S4 — CID 158894450

About 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazol-5-yl]ethanone

6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazol-5-yl]ethanone (PubChem CID 158894450) has the molecular formula C58H62N12O8S4 and a molecular weight of 1183.48 g/mol. Its IUPAC name is 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazol-5-yl]ethanone.

Molecular Properties

• Compound Name: 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazol-5-yl]ethanone
• PubChem CID: 158894450
• Molecular Formula: C58H62N12O8S4
• Molecular Weight: 1183.48 g/mol
• Exact Mass: 1182.37
• IUPAC Name: 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazol-5-yl]ethanone
• SMILES: CC(=O)c1ccc2c(c1)nc(Cc1nc3c(s1)COCC3)n2C.CCCCC(=O)c1ccc2c(c1)nc(Nc1nc3c(s1)COCC3)n2C.Cn1c(Cc2nc3c(s2)COCC3)nc2cc(C(=O)O)ccc21.Nc1nc2c(s1)COCC2
• InChI: InChI=1S/C19H22N4O2S.C17H17N3O2S.C16H15N3O3S.C6H8N2OS/c1-3-4-5-16(24)12-6-7-15-14(10-12)20-18(23(15)2)22-19-21-13-8-9-25-11-17(13)26-19;1-10(21)11-3-4-14-13(7-11)18-16(20(14)2)8-17-19-12-5-6-22-9-15(12)23-17;1-19-12-3-2-9(16(20)21)6-11(12)17-14(19)7-15-18-10-4-5-22-8-13(10)23-15;7-6-8-4-1-2-9-3-5(4)10-6/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,21,22);3-4,7H,5-6,8-9H2,1-2H3;2-3,6H,4-5,7-8H2,1H3,(H,20,21);1-3H2,(H2,7,8)
• InChIKey: JEQUFGDTIVLAQX-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 251.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1183.48
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazol-5-yl]ethanone?

The IUPAC name of 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazol-5-yl]ethanone (CID 158894450) is 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazol-5-yl]ethanone.

What is the SMILES notation for 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazol-5-yl]ethanone?

The canonical SMILES for 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazol-5-yl]ethanone is CC(=O)c1ccc2c(c1)nc(Cc1nc3c(s1)COCC3)n2C.CCCCC(=O)c1ccc2c(c1)nc(Nc1nc3c(s1)COCC3)n2C.Cn1c(Cc2nc3c(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;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazol-5-yl]ethanone?

The InChIKey is JEQUFGDTIVLAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S.C17H17N3O2S.C16H15N3O3S.C6H8N2OS/c1-3-4-5-16(24)12-6-7-15-14(10-12)20-18(23(15)2)22-19-21-13-8-9-25-11-17(13)26-19;1-10(21)11-3-4-14-13(7-11)18-16(20(14)2)8-17-19-12-5-6-22-9-15(12)23-17;1-19-12-3-2-9(16(20)21)6-11(12)17-14(19)7-15-18-10-4-5-22-8-13(10)23-15;7-6-8-4-1-2-9-3-5(4)10-6/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,21,22);3-4,7H,5-6,8-9H2,1-2H3;2-3,6H,4-5,7-8H2,1H3,(H,20,21);1-3H2,(H2,7,8).

What are the key properties of 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazol-5-yl]ethanone?

6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazol-5-yl]ethanone has a molecular weight of 1183.48 g/mol, XLogP of 10.30, 12 rotatable bonds, 3 hydrogen bond donors, and 23 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;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one;2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-methylbenzimidazol-5-yl]ethanone is sourced from PubChem (CID 158894450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).