(2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone

C21H20N2O3S — CID 34162563

IUPAC(2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)c(OC)c1
InChIInChI=1S/C21H20N2O3S/c1-13-22-18(12-27-13)14-4-7-19-15(10-14)8-9-23(19)21(24)17-6-5-16(25-2)11-20(17)26-3/h4-7,10-12H,8-9H2,1-3H3
InChIKeyVYVLXTIFRYSYOF-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.34
Rot. Bonds4

About (2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone

(2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone (PubChem CID 34162563) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
PubChem CID34162563
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name(2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)c(OC)c1
InChIInChI=1S/C21H20N2O3S/c1-13-22-18(12-27-13)14-4-7-19-15(10-14)8-9-23(19)21(24)17-6-5-16(25-2)11-20(17)26-3/h4-7,10-12H,8-9H2,1-3H3
InChIKeyVYVLXTIFRYSYOF-UHFFFAOYSA-N
XLogP4.34
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone (CID 34162563) is (2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone is COc1ccc(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is VYVLXTIFRYSYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13-22-18(12-27-13)14-4-7-19-15(10-14)8-9-23(19)21(24)17-6-5-16(25-2)11-20(17)26-3/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
(2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 380.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 34162563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).