N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine

C101H102F2N22S6 — CID 159517039

IUPACN,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCCN(CC)c1nc(-c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)c(C)s1.CCN(CC)c1nc(-c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)cs1.CCN(CC)c1nc(-c2c[nH]c3ncc(-c4cccnc4)cc23)c(C)s1.CCN(CC)c1nc(-c2c[nH]c3ncc(-c4cccnc4)cc23)cs1.CCN(CC)c1nc(-c2c[nH]c3ncc(Sc4ccccc4)cc23)c(C)s1
InChIInChI=1S/C21H21FN4S.C21H22N4S2.C20H19FN4S.C20H21N5S.C19H19N5S/c1-4-26(5-2)21-25-19(13(3)27-21)18-12-24-20-17(18)10-15(11-23-20)14-6-8-16(22)9-7-14;1-4-25(5-2)21-24-19(14(3)26-21)18-13-23-20-17(18)11-16(12-22-20)27-15-9-7-6-8-10-15;1-3-25(4-2)20-24-18(12-26-20)17-11-23-19-16(17)9-14(10-22-19)13-5-7-15(21)8-6-13;1-4-25(5-2)20-24-18(13(3)26-20)17-12-23-19-16(17)9-15(11-22-19)14-7-6-8-21-10-14;1-3-24(4-2)19-23-17(12-25-19)16-11-22-18-15(16)8-14(10-21-18)13-6-5-7-20-9-13/h6-12H,4-5H2,1-3H3,(H,23,24);6-13H,4-5H2,1-3H3,(H,22,23);5-12H,3-4H2,1-2H3,(H,22,23);6-12H,4-5H2,1-3H3,(H,22,23);5-12H,3-4H2,1-2H3,(H,21,22)
InChIKeyMBIGWPQYHDZVIN-UHFFFAOYSA-N
MW1854.48 g/mol
LogP26.48
Rot. Bonds26

About N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine

N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine (PubChem CID 159517039) has the molecular formula C101H102F2N22S6 and a molecular weight of 1854.48 g/mol. Its IUPAC name is N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
PubChem CID159517039
Molecular FormulaC101H102F2N22S6
Molecular Weight1854.48 g/mol
Exact Mass1852.70
IUPAC NameN,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCCN(CC)c1nc(-c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)c(C)s1.CCN(CC)c1nc(-c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)cs1.CCN(CC)c1nc(-c2c[nH]c3ncc(-c4cccnc4)cc23)c(C)s1.CCN(CC)c1nc(-c2c[nH]c3ncc(-c4cccnc4)cc23)cs1.CCN(CC)c1nc(-c2c[nH]c3ncc(Sc4ccccc4)cc23)c(C)s1
InChIInChI=1S/C21H21FN4S.C21H22N4S2.C20H19FN4S.C20H21N5S.C19H19N5S/c1-4-26(5-2)21-25-19(13(3)27-21)18-12-24-20-17(18)10-15(11-23-20)14-6-8-16(22)9-7-14;1-4-25(5-2)21-24-19(14(3)26-21)18-13-23-20-17(18)11-16(12-22-20)27-15-9-7-6-8-10-15;1-3-25(4-2)20-24-18(12-26-20)17-11-23-19-16(17)9-14(10-22-19)13-5-7-15(21)8-6-13;1-4-25(5-2)20-24-18(13(3)26-20)17-12-23-19-16(17)9-15(11-22-19)14-7-6-8-21-10-14;1-3-24(4-2)19-23-17(12-25-19)16-11-22-18-15(16)8-14(10-21-18)13-6-5-7-20-9-13/h6-12H,4-5H2,1-3H3,(H,23,24);6-13H,4-5H2,1-3H3,(H,22,23);5-12H,3-4H2,1-2H3,(H,22,23);6-12H,4-5H2,1-3H3,(H,22,23);5-12H,3-4H2,1-2H3,(H,21,22)
InChIKeyMBIGWPQYHDZVIN-UHFFFAOYSA-N
XLogP26.48
TPSA249.83 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.48
LogP ≤ 526.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

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2-[5-fluoro-1-(3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;hydrobromide
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2-[5-fluoro-1-(4-piperidin-1-ylbutyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
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2-[1-(4-piperidin-1-ylbutyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine (CID 159517039) is N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine is CCN(CC)c1nc(-c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)c(C)s1.CCN(CC)c1nc(-c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)cs1.CCN(CC)c1nc(-c2c[nH]c3ncc(-c4cccnc4)cc23)c(C)s1.CCN(CC)c1nc(-c2c[nH]c3ncc(-c4cccnc4)cc23)cs1.CCN(CC)c1nc(-c2c[nH]c3ncc(Sc4ccccc4)cc23)c(C)s1.
What is the InChIKey of N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is MBIGWPQYHDZVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4S.C21H22N4S2.C20H19FN4S.C20H21N5S.C19H19N5S/c1-4-26(5-2)21-25-19(13(3)27-21)18-12-24-20-17(18)10-15(11-23-20)14-6-8-16(22)9-7-14;1-4-25(5-2)21-24-19(14(3)26-21)18-13-23-20-17(18)11-16(12-22-20)27-15-9-7-6-8-10-15;1-3-25(4-2)20-24-18(12-26-20)17-11-23-19-16(17)9-14(10-22-19)13-5-7-15(21)8-6-13;1-4-25(5-2)20-24-18(13(3)26-20)17-12-23-19-16(17)9-15(11-22-19)14-7-6-8-21-10-14;1-3-24(4-2)19-23-17(12-25-19)16-11-22-18-15(16)8-14(10-21-18)13-6-5-7-20-9-13/h6-12H,4-5H2,1-3H3,(H,23,24);6-13H,4-5H2,1-3H3,(H,22,23);5-12H,3-4H2,1-2H3,(H,22,23);6-12H,4-5H2,1-3H3,(H,22,23);5-12H,3-4H2,1-2H3,(H,21,22).
What are the key properties of N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine?
N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 1854.48 g/mol, XLogP of 26.48, 26 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazol-2-amine;N,N-diethyl-4-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-5-methyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine;N,N-diethyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 159517039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).