(2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

C73H66Br5Cl5FN17O5S9 — CID 165039358

IUPAC(2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESC[C@H](N)C(=O)c1sc2c(NCc3ccco3)cc(Cl)nc2c1Br.C[C@H](N)C(=O)c1sc2c(NCc3cccs3)cc(Cl)nc2c1Br.C[C@H](N)C(=O)c1sc2c(NCc3nccs3)cc(Cl)nc2c1Br.C[C@H](N)C(F)c1sc2c(NCc3cccs3)cc(Cl)nc2c1Br.C[C@H](N)C(O)c1sc2c(NCc3nccs3)cc(Cl)nc2c1Br
InChIInChI=1S/C15H14BrClFN3S2.C15H13BrClN3O2S.C15H13BrClN3OS2.C14H14BrClN4OS2.C14H12BrClN4OS2/c1-7(19)12(18)15-11(16)13-14(23-15)9(5-10(17)21-13)20-6-8-3-2-4-22-8;2*1-7(18)13(21)15-11(16)12-14(23-15)9(5-10(17)20-12)19-6-8-3-2-4-22-8;2*1-6(17)12(21)14-10(15)11-13(23-14)7(4-8(16)20-11)19-5-9-18-2-3-22-9/h2-5,7,12H,6,19H2,1H3,(H,20,21);2*2-5,7H,6,18H2,1H3,(H,19,20);2-4,6,12,21H,5,17H2,1H3,(H,19,20);2-4,6H,5,17H2,1H3,(H,19,20)/t7-,12?;2*7-;6-,12?;6-/m00000/s1
InChIKeyNWOCTNMJJPTTGQ-MMMGLPLCSA-N
MW2145.83 g/mol
LogP23.58
Rot. Bonds25

About (2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

(2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 165039358) has the molecular formula C73H66Br5Cl5FN17O5S9 and a molecular weight of 2145.83 g/mol. Its IUPAC name is (2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name(2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
PubChem CID165039358
Molecular FormulaC73H66Br5Cl5FN17O5S9
Molecular Weight2145.83 g/mol
Exact Mass2136.73
IUPAC Name(2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESC[C@H](N)C(=O)c1sc2c(NCc3ccco3)cc(Cl)nc2c1Br.C[C@H](N)C(=O)c1sc2c(NCc3cccs3)cc(Cl)nc2c1Br.C[C@H](N)C(=O)c1sc2c(NCc3nccs3)cc(Cl)nc2c1Br.C[C@H](N)C(F)c1sc2c(NCc3cccs3)cc(Cl)nc2c1Br.C[C@H](N)C(O)c1sc2c(NCc3nccs3)cc(Cl)nc2c1Br
InChIInChI=1S/C15H14BrClFN3S2.C15H13BrClN3O2S.C15H13BrClN3OS2.C14H14BrClN4OS2.C14H12BrClN4OS2/c1-7(19)12(18)15-11(16)13-14(23-15)9(5-10(17)21-13)20-6-8-3-2-4-22-8;2*1-7(18)13(21)15-11(16)12-14(23-15)9(5-10(17)20-12)19-6-8-3-2-4-22-8;2*1-6(17)12(21)14-10(15)11-13(23-14)7(4-8(16)20-11)19-5-9-18-2-3-22-9/h2-5,7,12H,6,19H2,1H3,(H,20,21);2*2-5,7H,6,18H2,1H3,(H,19,20);2-4,6,12,21H,5,17H2,1H3,(H,19,20);2-4,6H,5,17H2,1H3,(H,19,20)/t7-,12?;2*7-;6-,12?;6-/m00000/s1
InChIKeyNWOCTNMJJPTTGQ-MMMGLPLCSA-N
XLogP23.58
TPSA365.06 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002145.83
LogP ≤ 523.58
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The IUPAC name of (2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (CID 165039358) is (2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for (2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for (2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is C[C@H](N)C(=O)c1sc2c(NCc3ccco3)cc(Cl)nc2c1Br.C[C@H](N)C(=O)c1sc2c(NCc3cccs3)cc(Cl)nc2c1Br.C[C@H](N)C(=O)c1sc2c(NCc3nccs3)cc(Cl)nc2c1Br.C[C@H](N)C(F)c1sc2c(NCc3cccs3)cc(Cl)nc2c1Br.C[C@H](N)C(O)c1sc2c(NCc3nccs3)cc(Cl)nc2c1Br.
What is the InChIKey of (2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The InChIKey is NWOCTNMJJPTTGQ-MMMGLPLCSA-N. The full InChI is InChI=1S/C15H14BrClFN3S2.C15H13BrClN3O2S.C15H13BrClN3OS2.C14H14BrClN4OS2.C14H12BrClN4OS2/c1-7(19)12(18)15-11(16)13-14(23-15)9(5-10(17)21-13)20-6-8-3-2-4-22-8;2*1-7(18)13(21)15-11(16)12-14(23-15)9(5-10(17)20-12)19-6-8-3-2-4-22-8;2*1-6(17)12(21)14-10(15)11-13(23-14)7(4-8(16)20-11)19-5-9-18-2-3-22-9/h2-5,7,12H,6,19H2,1H3,(H,20,21);2*2-5,7H,6,18H2,1H3,(H,19,20);2-4,6,12,21H,5,17H2,1H3,(H,19,20);2-4,6H,5,17H2,1H3,(H,19,20)/t7-,12?;2*7-;6-,12?;6-/m00000/s1.
What are the key properties of (2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
(2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 2145.83 g/mol, XLogP of 23.58, 25 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[3-bromo-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-ol;(2S)-2-amino-1-[3-bromo-5-chloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;2-[(2S)-2-amino-1-fluoropropyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 165039358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).