[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol

C64H85BrN10O6S2Sn — CID 159461771

About [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol

[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol (PubChem CID 159461771) has the molecular formula C64H85BrN10O6S2Sn and a molecular weight of 1353.20 g/mol. Its IUPAC name is [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol.

Molecular Properties

• Compound Name: [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol
• PubChem CID: 159461771
• Molecular Formula: C64H85BrN10O6S2Sn
• Molecular Weight: 1353.20 g/mol
• Exact Mass: 1352.43
• IUPAC Name: [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol
• SMILES: C.CC(C)(C)OC(=O)N1CCC(Oc2cc3nc(Nc4ccccc4)ncc3cc2Br)CC1.CCCC[Sn](CCCC)(CCCC)c1nc(CO)cs1.OCc1csc(-c2cc3cnc(Nc4ccccc4)nc3cc2OC2CCNCC2)n1
• InChI: InChI=1S/C24H27BrN4O3.C23H23N5O2S.C4H4NOS.3C4H9.CH4.Sn/c1-24(2,3)32-23(30)29-11-9-18(10-12-29)31-21-14-20-16(13-19(21)25)15-26-22(28-20)27-17-7-5-4-6-8-17;29-13-17-14-31-22(26-17)19-10-15-12-25-23(27-16-4-2-1-3-5-16)28-20(15)11-21(19)30-18-6-8-24-9-7-18;6-1-4-2-7-3-5-4;3*1-3-4-2;;/h4-8,13-15,18H,9-12H2,1-3H3,(H,26,27,28);1-5,10-12,14,18,24,29H,6-9,13H2,(H,25,27,28);2,6H,1H2;3*1,3-4H2,2H3;1H4
• InChIKey: LURGSKIHTYFTOH-UHFFFAOYSA-N
• XLogP: 15.36
• TPSA: 201.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1353.20
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol?

The IUPAC name of [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol (CID 159461771) is [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol.

What is the SMILES notation for [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol?

The canonical SMILES for [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol is C.CC(C)(C)OC(=O)N1CCC(Oc2cc3nc(Nc4ccccc4)ncc3cc2Br)CC1.CCCC[Sn](CCCC)(CCCC)c1nc(CO)cs1.OCc1csc(-c2cc3cnc(Nc4ccccc4)nc3cc2OC2CCNCC2)n1.

What is the InChIKey of [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol?

The InChIKey is LURGSKIHTYFTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O3.C23H23N5O2S.C4H4NOS.3C4H9.CH4.Sn/c1-24(2,3)32-23(30)29-11-9-18(10-12-29)31-21-14-20-16(13-19(21)25)15-26-22(28-20)27-17-7-5-4-6-8-17;29-13-17-14-31-22(26-17)19-10-15-12-25-23(27-16-4-2-1-3-5-16)28-20(15)11-21(19)30-18-6-8-24-9-7-18;6-1-4-2-7-3-5-4;3*1-3-4-2;;/h4-8,13-15,18H,9-12H2,1-3H3,(H,26,27,28);1-5,10-12,14,18,24,29H,6-9,13H2,(H,25,27,28);2,6H,1H2;3*1,3-4H2,2H3;1H4;.

What are the key properties of [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol?

[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol has a molecular weight of 1353.20 g/mol, XLogP of 15.36, 21 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol;tert-butyl 4-(2-anilino-6-bromoquinazolin-7-yl)oxypiperidine-1-carboxylate;methane;(2-tributylstannyl-1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 159461771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).