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

C23H27N3O6S — CID 76570054

IUPAC2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide
SMILESCOc1ccc(-c2cnsc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(N)C(C)O
InChIInChI=1S/C23H27N3O6S/c1-12(27)20(24)23(28)26-16-8-13(6-7-17(16)29-2)15-11-25-33-22(15)14-9-18(30-3)21(32-5)19(10-14)31-4/h6-12,20,27H,24H2,1-5H3,(H,26,28)
InChIKeyYMAVRZMSCHSBQH-UHFFFAOYSA-N
MW473.55 g/mol
LogP3.16
Rot. Bonds9

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

2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide (PubChem CID 76570054) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide
PubChem CID76570054
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide
SMILESCOc1ccc(-c2cnsc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(N)C(C)O
InChIInChI=1S/C23H27N3O6S/c1-12(27)20(24)23(28)26-16-8-13(6-7-17(16)29-2)15-11-25-33-22(15)14-9-18(30-3)21(32-5)19(10-14)31-4/h6-12,20,27H,24H2,1-5H3,(H,26,28)
InChIKeyYMAVRZMSCHSBQH-UHFFFAOYSA-N
XLogP3.16
TPSA125.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

CID 87134307
CID 87134307
[(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
3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide
CID 66744969
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
[(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
[(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
[(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
2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide;hydrochloride
CID 66929609
3-amino-2-chloro-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-4-methylpentanamide
CID 141302166
[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl] sulfite
CID 71172547
2-amino-N-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyphenyl]propanamide;hydrochloride
CID 123477282

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide?
The IUPAC name of 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide (CID 76570054) is 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide is COc1ccc(-c2cnsc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(N)C(C)O.
What is the InChIKey of 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide?
The InChIKey is YMAVRZMSCHSBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-12(27)20(24)23(28)26-16-8-13(6-7-17(16)29-2)15-11-25-33-22(15)14-9-18(30-3)21(32-5)19(10-14)31-4/h6-12,20,27H,24H2,1-5H3,(H,26,28).
What are the key properties of 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide?
2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide has a molecular weight of 473.55 g/mol, XLogP of 3.16, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide is sourced from PubChem (CID 76570054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).