[5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone

C19H16N2O2S — CID 168875760

IUPAC[5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ncc(CO)s1)N1CCc2c(-c3ccccc3)cccc21
InChIInChI=1S/C19H16N2O2S/c22-12-14-11-20-18(24-14)19(23)21-10-9-16-15(7-4-8-17(16)21)13-5-2-1-3-6-13/h1-8,11,22H,9-10,12H2
InChIKeyLKSVKZLXFJOUAF-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.51
Rot. Bonds3

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

[5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 168875760) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is [5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
PubChem CID168875760
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name[5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ncc(CO)s1)N1CCc2c(-c3ccccc3)cccc21
InChIInChI=1S/C19H16N2O2S/c22-12-14-11-20-18(24-14)19(23)21-10-9-16-15(7-4-8-17(16)21)13-5-2-1-3-6-13/h1-8,11,22H,9-10,12H2
InChIKeyLKSVKZLXFJOUAF-UHFFFAOYSA-N
XLogP3.51
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 164610615
(2S)-1-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 164610990
N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide
CID 164625393
[5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-quinoxalin-6-yl-2,3-dihydroindol-1-yl)methanone
CID 164628013
[5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 164628186
(5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 129398640
(4-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
CID 174895867
2-(4-bromo-2,3-dihydroindole-1-carbonyl)-1,3-thiazole-5-carbaldehyde
CID 175219052
1-cyano-2-[[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-1-carbonyl]-1,3-thiazol-5-yl]methyl]-3-pyridin-4-ylguanidine
CID 175460771
formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 174951515
(4-bromo-2,3-dihydroindol-1-yl)-[5-(1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanone
CID 175897041
(4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 174921124

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (CID 168875760) is [5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is O=C(c1ncc(CO)s1)N1CCc2c(-c3ccccc3)cccc21.
What is the InChIKey of [5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is LKSVKZLXFJOUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-12-14-11-20-18(24-14)19(23)21-10-9-16-15(7-4-8-17(16)21)13-5-2-1-3-6-13/h1-8,11,22H,9-10,12H2.
What are the key properties of [5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
[5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 336.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 168875760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).