2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde

C58H58F2N16O7S2 — CID 160538122

IUPAC2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde
SMILESCOC(C=O)OC.Fc1cccnc1CNc1ncnc2sc(CCNCc3ncc(-c4ccccc4)[nH]3)nc12.NCCc1nc2c(NCc3ncccc3F)ncnc2s1.O=C(c1ccccc1)C(O)O.O=Cc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C23H21FN8S.C13H13FN6S.C10H8N2O.C8H8O3.C4H8O3/c24-16-7-4-9-26-18(16)12-28-22-21-23(30-14-29-22)33-20(32-21)8-10-25-13-19-27-11-17(31-19)15-5-2-1-3-6-15;14-8-2-1-5-16-9(8)6-17-12-11-13(19-7-18-12)21-10(20-11)3-4-15;13-7-10-11-6-9(12-10)8-4-2-1-3-5-8;9-7(8(10)11)6-4-2-1-3-5-6;1-6-4(3-5)7-2/h1-7,9,11,14,25H,8,10,12-13H2,(H,27,31)(H,28,29,30);1-2,5,7H,3-4,6,15H2,(H,17,18,19);1-7H,(H,11,12);1-5,8,10-11H;3-4H,1-2H3
InChIKeyQWKRFAVSJNKAKN-UHFFFAOYSA-N
MW1193.34 g/mol
LogP7.56
Rot. Bonds21

About 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde

2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde (PubChem CID 160538122) has the molecular formula C58H58F2N16O7S2 and a molecular weight of 1193.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde
PubChem CID160538122
Molecular FormulaC58H58F2N16O7S2
Molecular Weight1193.34 g/mol
Exact Mass1192.41
IUPAC Name2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde
SMILESCOC(C=O)OC.Fc1cccnc1CNc1ncnc2sc(CCNCc3ncc(-c4ccccc4)[nH]3)nc12.NCCc1nc2c(NCc3ncccc3F)ncnc2s1.O=C(c1ccccc1)C(O)O.O=Cc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C23H21FN8S.C13H13FN6S.C10H8N2O.C8H8O3.C4H8O3/c24-16-7-4-9-26-18(16)12-28-22-21-23(30-14-29-22)33-20(32-21)8-10-25-13-19-27-11-17(31-19)15-5-2-1-3-6-15;14-8-2-1-5-16-9(8)6-17-12-11-13(19-7-18-12)21-10(20-11)3-4-15;13-7-10-11-6-9(12-10)8-4-2-1-3-5-8;9-7(8(10)11)6-4-2-1-3-5-6;1-6-4(3-5)7-2/h1-7,9,11,14,25H,8,10,12-13H2,(H,27,31)(H,28,29,30);1-2,5,7H,3-4,6,15H2,(H,17,18,19);1-7H,(H,11,12);1-5,8,10-11H;3-4H,1-2H3
InChIKeyQWKRFAVSJNKAKN-UHFFFAOYSA-N
XLogP7.56
TPSA332.72 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001193.34
LogP ≤ 57.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde?
The IUPAC name of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde (CID 160538122) is 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde is COC(C=O)OC.Fc1cccnc1CNc1ncnc2sc(CCNCc3ncc(-c4ccccc4)[nH]3)nc12.NCCc1nc2c(NCc3ncccc3F)ncnc2s1.O=C(c1ccccc1)C(O)O.O=Cc1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde?
The InChIKey is QWKRFAVSJNKAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8S.C13H13FN6S.C10H8N2O.C8H8O3.C4H8O3/c24-16-7-4-9-26-18(16)12-28-22-21-23(30-14-29-22)33-20(32-21)8-10-25-13-19-27-11-17(31-19)15-5-2-1-3-6-15;14-8-2-1-5-16-9(8)6-17-12-11-13(19-7-18-12)21-10(20-11)3-4-15;13-7-10-11-6-9(12-10)8-4-2-1-3-5-8;9-7(8(10)11)6-4-2-1-3-5-6;1-6-4(3-5)7-2/h1-7,9,11,14,25H,8,10,12-13H2,(H,27,31)(H,28,29,30);1-2,5,7H,3-4,6,15H2,(H,17,18,19);1-7H,(H,11,12);1-5,8,10-11H;3-4H,1-2H3.
What are the key properties of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde?
2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde has a molecular weight of 1193.34 g/mol, XLogP of 7.56, 21 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2,2-dihydroxy-1-phenylethanone;2,2-dimethoxyacetaldehyde;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;5-phenyl-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 160538122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).