N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide

C24H23N3O3S — CID 53233214

IUPACN-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NC(=O)CO)s2)cc1C#N
InChIInChI=1S/C24H23N3O3S/c1-14(2)30-21-9-6-15(10-16(21)11-25)24-26-12-22(31-24)19-5-3-4-18-17(19)7-8-20(18)27-23(29)13-28/h3-6,9-10,12,14,20,28H,7-8,13H2,1-2H3,(H,27,29)/t20-/m0/s1
InChIKeyGQNYXCUMMLMYTG-FQEVSTJZSA-N
MW433.53 g/mol
LogP4.23
Rot. Bonds6

About N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide

N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide (PubChem CID 53233214) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide
PubChem CID53233214
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NC(=O)CO)s2)cc1C#N
InChIInChI=1S/C24H23N3O3S/c1-14(2)30-21-9-6-15(10-16(21)11-25)24-26-12-22(31-24)19-5-3-4-18-17(19)7-8-20(18)27-23(29)13-28/h3-6,9-10,12,14,20,28H,7-8,13H2,1-2H3,(H,27,29)/t20-/m0/s1
InChIKeyGQNYXCUMMLMYTG-FQEVSTJZSA-N
XLogP4.23
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide?
The IUPAC name of N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide (CID 53233214) is N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide is CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NC(=O)CO)s2)cc1C#N.
What is the InChIKey of N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide?
The InChIKey is GQNYXCUMMLMYTG-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-14(2)30-21-9-6-15(10-16(21)11-25)24-26-12-22(31-24)19-5-3-4-18-17(19)7-8-20(18)27-23(29)13-28/h3-6,9-10,12,14,20,28H,7-8,13H2,1-2H3,(H,27,29)/t20-/m0/s1.
What are the key properties of N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide?
N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide has a molecular weight of 433.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxyacetamide is sourced from PubChem (CID 53233214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).