3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide

C22H25N3O6S — CID 66744969

IUPAC3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide
SMILESCOc1ccc(-c2sncc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CC(N)O
InChIInChI=1S/C22H25N3O6S/c1-28-16-6-5-12(7-15(16)25-20(27)10-19(23)26)22-14(11-24-32-22)13-8-17(29-2)21(31-4)18(9-13)30-3/h5-9,11,19,26H,10,23H2,1-4H3,(H,25,27)
InChIKeyACVNAHCBRZJGFW-UHFFFAOYSA-N
MW459.52 g/mol
LogP3.12
Rot. Bonds9

About 3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide

3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide (PubChem CID 66744969) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is 3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide
PubChem CID66744969
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC Name3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide
SMILESCOc1ccc(-c2sncc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CC(N)O
InChIInChI=1S/C22H25N3O6S/c1-28-16-6-5-12(7-15(16)25-20(27)10-19(23)26)22-14(11-24-32-22)13-8-17(29-2)21(31-4)18(9-13)30-3/h5-9,11,19,26H,10,23H2,1-4H3,(H,25,27)
InChIKeyACVNAHCBRZJGFW-UHFFFAOYSA-N
XLogP3.12
TPSA125.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide
CID 76570054
CID 87134307
CID 87134307
2-amino-3-(1H-imidazol-5-yl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]propanamide
CID 76570071
[(2S)-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]anilino]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 158967705
[(2R)-4-carboxy-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]anilino]-1-oxobutan-2-yl]azanium chloride
CID 158821119
3-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-4-methylpentanamide;hydrochloride
CID 11996413
N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide
CID 141187798
ethyl 5-(3-acetamido-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene-2-carboxylate
CID 141187800
[(2S)-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-thiazol-4-yl]anilino]-3-methyl-1-oxopentan-2-yl]azanium chloride
CID 158911020
2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide;hydrochloride
CID 66929609
[(1S)-2-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-thiazol-4-yl]anilino]-2-oxo-1-phenylethyl]azanium chloride
CID 159338348
(2R)-2-amino-N-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-thiazol-4-yl]phenyl]-3-(3H-pyrrol-4-yl)propanamide
CID 162173210

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide?
The IUPAC name of 3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide (CID 66744969) is 3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide.
What is the SMILES notation for 3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide?
The canonical SMILES for 3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide is COc1ccc(-c2sncc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CC(N)O.
What is the InChIKey of 3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide?
The InChIKey is ACVNAHCBRZJGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-28-16-6-5-12(7-15(16)25-20(27)10-19(23)26)22-14(11-24-32-22)13-8-17(29-2)21(31-4)18(9-13)30-3/h5-9,11,19,26H,10,23H2,1-4H3,(H,25,27).
What are the key properties of 3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide?
3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide has a molecular weight of 459.52 g/mol, XLogP of 3.12, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide is sourced from PubChem (CID 66744969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).