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

C20H20N4O2S — CID 164610329

IUPAC[5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ncc(CNCCO)s1)N1CCc2c(-c3ccncc3)cccc21
InChIInChI=1S/C20H20N4O2S/c25-11-9-22-12-15-13-23-19(27-15)20(26)24-10-6-17-16(2-1-3-18(17)24)14-4-7-21-8-5-14/h1-5,7-8,13,22,25H,6,9-12H2
InChIKeyUMRYYIIIGKMROF-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.49
Rot. Bonds6

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

[5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone (PubChem CID 164610329) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
PubChem CID164610329
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name[5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ncc(CNCCO)s1)N1CCc2c(-c3ccncc3)cccc21
InChIInChI=1S/C20H20N4O2S/c25-11-9-22-12-15-13-23-19(27-15)20(26)24-10-6-17-16(2-1-3-18(17)24)14-4-7-21-8-5-14/h1-5,7-8,13,22,25H,6,9-12H2
InChIKeyUMRYYIIIGKMROF-UHFFFAOYSA-N
XLogP2.49
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone (CID 164610329) is [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone is O=C(c1ncc(CNCCO)s1)N1CCc2c(-c3ccncc3)cccc21.
What is the InChIKey of [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is UMRYYIIIGKMROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-11-9-22-12-15-13-23-19(27-15)20(26)24-10-6-17-16(2-1-3-18(17)24)14-4-7-21-8-5-14/h1-5,7-8,13,22,25H,6,9-12H2.
What are the key properties of [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
[5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 380.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 164610329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).