3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide

C88H88N24O11S7 — CID 158861665

IUPAC3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide
SMILESCOc1ccc(CCNc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1.CS(=O)(=O)c1ccc(CNc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1.NC1CCN(C(=O)c2nc3ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc4c3s2)CC1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4nc(C(=O)N5CCNCC5)sc4c3n2)c1
InChIInChI=1S/C24H25N5O2S.C23H23N5O3S2.C21H21N7O3S2.C20H19N7O3S2/c1-31-18-5-2-16(3-6-18)8-9-26-24-27-15-17-4-7-20-19(22(17)28-24)14-21(32-20)23(30)29-12-10-25-11-13-29;1-33(30,31)17-5-2-15(3-6-17)13-25-23-26-14-16-4-7-19-18(21(16)27-23)12-20(32-19)22(29)28-10-8-24-9-11-28;22-13-6-8-28(9-7-13)20(29)19-26-16-5-4-12-11-24-21(27-17(12)18(16)32-19)25-14-2-1-3-15(10-14)33(23,30)31;21-32(29,30)14-3-1-2-13(10-14)24-20-23-11-12-4-5-15-17(16(12)26-20)31-18(25-15)19(28)27-8-6-22-7-9-27/h2-7,14-15,25H,8-13H2,1H3,(H,26,27,28);2-7,12,14,24H,8-11,13H2,1H3,(H,25,26,27);1-5,10-11,13H,6-9,22H2,(H2,23,30,31)(H,24,25,27);1-5,10-11,22H,6-9H2,(H2,21,29,30)(H,23,24,26)
InChIKeyJASSURISCHTDEJ-UHFFFAOYSA-N
MW1882.30 g/mol
LogP10.33
Rot. Bonds19

About 3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide

3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide (PubChem CID 158861665) has the molecular formula C88H88N24O11S7 and a molecular weight of 1882.30 g/mol. Its IUPAC name is 3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide
PubChem CID158861665
Molecular FormulaC88H88N24O11S7
Molecular Weight1882.30 g/mol
Exact Mass1880.51
IUPAC Name3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide
SMILESCOc1ccc(CCNc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1.CS(=O)(=O)c1ccc(CNc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1.NC1CCN(C(=O)c2nc3ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc4c3s2)CC1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4nc(C(=O)N5CCNCC5)sc4c3n2)c1
InChIInChI=1S/C24H25N5O2S.C23H23N5O3S2.C21H21N7O3S2.C20H19N7O3S2/c1-31-18-5-2-16(3-6-18)8-9-26-24-27-15-17-4-7-20-19(22(17)28-24)14-21(32-20)23(30)29-12-10-25-11-13-29;1-33(30,31)17-5-2-15(3-6-17)13-25-23-26-14-16-4-7-19-18(21(16)27-23)12-20(32-19)22(29)28-10-8-24-9-11-28;22-13-6-8-28(9-7-13)20(29)19-26-16-5-4-12-11-24-21(27-17(12)18(16)32-19)25-14-2-1-3-15(10-14)33(23,30)31;21-32(29,30)14-3-1-2-13(10-14)24-20-23-11-12-4-5-15-17(16(12)26-20)31-18(25-15)19(28)27-8-6-22-7-9-27/h2-7,14-15,25H,8-13H2,1H3,(H,26,27,28);2-7,12,14,24H,8-11,13H2,1H3,(H,25,26,27);1-5,10-11,13H,6-9,22H2,(H2,23,30,31)(H,24,25,27);1-5,10-11,22H,6-9H2,(H2,21,29,30)(H,23,24,26)
InChIKeyJASSURISCHTDEJ-UHFFFAOYSA-N
XLogP10.33
TPSA484.06 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds19
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001882.30
LogP ≤ 510.33
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze 3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide (CID 158861665) is 3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide is COc1ccc(CCNc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1.CS(=O)(=O)c1ccc(CNc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1.NC1CCN(C(=O)c2nc3ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc4c3s2)CC1.NS(=O)(=O)c1cccc(Nc2ncc3ccc4nc(C(=O)N5CCNCC5)sc4c3n2)c1.
What is the InChIKey of 3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide?
The InChIKey is JASSURISCHTDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S.C23H23N5O3S2.C21H21N7O3S2.C20H19N7O3S2/c1-31-18-5-2-16(3-6-18)8-9-26-24-27-15-17-4-7-20-19(22(17)28-24)14-21(32-20)23(30)29-12-10-25-11-13-29;1-33(30,31)17-5-2-15(3-6-17)13-25-23-26-14-16-4-7-19-18(21(16)27-23)12-20(32-19)22(29)28-10-8-24-9-11-28;22-13-6-8-28(9-7-13)20(29)19-26-16-5-4-12-11-24-21(27-17(12)18(16)32-19)25-14-2-1-3-15(10-14)33(23,30)31;21-32(29,30)14-3-1-2-13(10-14)24-20-23-11-12-4-5-15-17(16(12)26-20)31-18(25-15)19(28)27-8-6-22-7-9-27/h2-7,14-15,25H,8-13H2,1H3,(H,26,27,28);2-7,12,14,24H,8-11,13H2,1H3,(H,25,26,27);1-5,10-11,13H,6-9,22H2,(H2,23,30,31)(H,24,25,27);1-5,10-11,22H,6-9H2,(H2,21,29,30)(H,23,24,26).
What are the key properties of 3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide?
3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide has a molecular weight of 1882.30 g/mol, XLogP of 10.33, 19 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide is sourced from PubChem (CID 158861665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).