2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole

C31H26N6OS2 — CID 91088625

IUPAC2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole
SMILESc1coc(C2C(c3cccs3)=C(c3nccs3)C(N3CCCC3)=C(c3cc4ccccc4[nH]3)N2c2ncc[nH]2)c1
InChIInChI=1S/C31H26N6OS2/c1-2-8-21-20(7-1)19-22(35-21)27-29(36-14-3-4-15-36)26(30-32-13-18-40-30)25(24-10-6-17-39-24)28(23-9-5-16-38-23)37(27)31-33-11-12-34-31/h1-2,5-13,16-19,28,35H,3-4,14-15H2,(H,33,34)
InChIKeyVXOFDIIHWULZPT-UHFFFAOYSA-N
MW562.72 g/mol
LogP7.64
Rot. Bonds6

About 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole

2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole (PubChem CID 91088625) has the molecular formula C31H26N6OS2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole
PubChem CID91088625
Molecular FormulaC31H26N6OS2
Molecular Weight562.72 g/mol
Exact Mass562.16
IUPAC Name2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole
SMILESc1coc(C2C(c3cccs3)=C(c3nccs3)C(N3CCCC3)=C(c3cc4ccccc4[nH]3)N2c2ncc[nH]2)c1
InChIInChI=1S/C31H26N6OS2/c1-2-8-21-20(7-1)19-22(35-21)27-29(36-14-3-4-15-36)26(30-32-13-18-40-30)25(24-10-6-17-39-24)28(23-9-5-16-38-23)37(27)31-33-11-12-34-31/h1-2,5-13,16-19,28,35H,3-4,14-15H2,(H,33,34)
InChIKeyVXOFDIIHWULZPT-UHFFFAOYSA-N
XLogP7.64
TPSA76.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole with MolForge

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Related Compounds

2-(1-((1H-Imidazo[4,5-b]pyridin-2-yl)methyl)piperidin-4-yl)-4-(benzofuran-2-yl)thiazole
CID 162675169
5-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 2999109
4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166631330
4-(1-benzofuran-2-yl)-2-[1-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166633163
4-(1-benzofuran-2-yl)-2-[1-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166633628
4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166634094
4-(1-benzofuran-2-yl)-2-[1-(7H-purin-8-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166635269
4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166627316
2-((1-(furan-2-ylmethyl)-1H-imidazol-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CID 7151135
4-(2-Benzofuryl)-2-(imidazol-4-ylmethyl)thiazole
CID 129877793
2-(1,3-benzothiazol-2-yl)-1-[(4S)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 169163589
2-(1,3-Benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 169163702

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole (CID 91088625) is 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole is c1coc(C2C(c3cccs3)=C(c3nccs3)C(N3CCCC3)=C(c3cc4ccccc4[nH]3)N2c2ncc[nH]2)c1.
What is the InChIKey of 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole?
The InChIKey is VXOFDIIHWULZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N6OS2/c1-2-8-21-20(7-1)19-22(35-21)27-29(36-14-3-4-15-36)26(30-32-13-18-40-30)25(24-10-6-17-39-24)28(23-9-5-16-38-23)37(27)31-33-11-12-34-31/h1-2,5-13,16-19,28,35H,3-4,14-15H2,(H,33,34).
What are the key properties of 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole?
2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole has a molecular weight of 562.72 g/mol, XLogP of 7.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole is sourced from PubChem (CID 91088625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).