(2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide

C22H23N3O4S — CID 71292758

IUPAC(2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide
SMILESN[C@@H](CO)C(=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C22H23N3O4S/c23-18(13-26)21(27)24-11-17-12-25-22(30-17)28-16-7-9-20-15(10-16)6-8-19(29-20)14-4-2-1-3-5-14/h1-5,7,9-10,12,18-19,26H,6,8,11,13,23H2,(H,24,27)/t18-,19?/m0/s1
InChIKeyFZDMUUFTHHCESX-OYKVQYDMSA-N
MW425.51 g/mol
LogP2.94
Rot. Bonds7

About (2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide

(2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide (PubChem CID 71292758) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide
PubChem CID71292758
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name(2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide
SMILESN[C@@H](CO)C(=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C22H23N3O4S/c23-18(13-26)21(27)24-11-17-12-25-22(30-17)28-16-7-9-20-15(10-16)6-8-19(29-20)14-4-2-1-3-5-14/h1-5,7,9-10,12,18-19,26H,6,8,11,13,23H2,(H,24,27)/t18-,19?/m0/s1
InChIKeyFZDMUUFTHHCESX-OYKVQYDMSA-N
XLogP2.94
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide (CID 71292758) is (2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide is N[C@@H](CO)C(=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1.
What is the InChIKey of (2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide?
The InChIKey is FZDMUUFTHHCESX-OYKVQYDMSA-N. The full InChI is InChI=1S/C22H23N3O4S/c23-18(13-26)21(27)24-11-17-12-25-22(30-17)28-16-7-9-20-15(10-16)6-8-19(29-20)14-4-2-1-3-5-14/h1-5,7,9-10,12,18-19,26H,6,8,11,13,23H2,(H,24,27)/t18-,19?/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide?
(2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide has a molecular weight of 425.51 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide is sourced from PubChem (CID 71292758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).