5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole

C23H17FN2O2S — CID 176955687

IUPAC5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole
SMILESCOc1ccc2oc(C3CC3)c(-c3cnc(-c4c[nH]c5cc(F)ccc45)s3)c2c1
InChIInChI=1S/C23H17FN2O2S/c1-27-14-5-7-19-16(9-14)21(22(28-19)12-2-3-12)20-11-26-23(29-20)17-10-25-18-8-13(24)4-6-15(17)18/h4-12,25H,2-3H2,1H3
InChIKeyLMATVKCZZRROMR-UHFFFAOYSA-N
MW404.47 g/mol
LogP6.73
Rot. Bonds4

About 5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole

5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole (PubChem CID 176955687) has the molecular formula C23H17FN2O2S and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole
PubChem CID176955687
Molecular FormulaC23H17FN2O2S
Molecular Weight404.47 g/mol
Exact Mass404.10
IUPAC Name5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole
SMILESCOc1ccc2oc(C3CC3)c(-c3cnc(-c4c[nH]c5cc(F)ccc45)s3)c2c1
InChIInChI=1S/C23H17FN2O2S/c1-27-14-5-7-19-16(9-14)21(22(28-19)12-2-3-12)20-11-26-23(29-20)17-10-25-18-8-13(24)4-6-15(17)18/h4-12,25H,2-3H2,1H3
InChIKeyLMATVKCZZRROMR-UHFFFAOYSA-N
XLogP6.73
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11176778
3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11406135
6-fluoro-3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11429231
3-[(5-methoxy-1-benzofuran-2-yl)-phenylmethyl]-1H-indole
CID 162673892
3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 11383610
(5-phenylmethoxy-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 67914997
2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole
CID 141116001
2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide;1H-pyrrole
CID 175480648
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8839523
1-(5-methoxy-1H-indol-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 71870860
(E)-1-(5-methoxy-1H-indol-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 75535550
(5-methoxy-1H-indol-3-yl)-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 168049108

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole?
The IUPAC name of 5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole (CID 176955687) is 5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole.
What is the SMILES notation for 5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole?
The canonical SMILES for 5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole is COc1ccc2oc(C3CC3)c(-c3cnc(-c4c[nH]c5cc(F)ccc45)s3)c2c1.
What is the InChIKey of 5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole?
The InChIKey is LMATVKCZZRROMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2S/c1-27-14-5-7-19-16(9-14)21(22(28-19)12-2-3-12)20-11-26-23(29-20)17-10-25-18-8-13(24)4-6-15(17)18/h4-12,25H,2-3H2,1H3.
What are the key properties of 5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole?
5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole has a molecular weight of 404.47 g/mol, XLogP of 6.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole is sourced from PubChem (CID 176955687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).