N-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C19H26N2O5S — CID 71710543

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1cc(-c2nc(CC(=O)NC(CO)C(C)C)cs2)cc(OC)c1OC
InChIInChI=1S/C19H26N2O5S/c1-11(2)14(9-22)21-17(23)8-13-10-27-19(20-13)12-6-15(24-3)18(26-5)16(7-12)25-4/h6-7,10-11,14,22H,8-9H2,1-5H3,(H,21,23)
InChIKeyHNOLSGTWWBYGFO-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.51
Rot. Bonds9

About N-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 71710543) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID71710543
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1cc(-c2nc(CC(=O)NC(CO)C(C)C)cs2)cc(OC)c1OC
InChIInChI=1S/C19H26N2O5S/c1-11(2)14(9-22)21-17(23)8-13-10-27-19(20-13)12-6-15(24-3)18(26-5)16(7-12)25-4/h6-7,10-11,14,22H,8-9H2,1-5H3,(H,21,23)
InChIKeyHNOLSGTWWBYGFO-UHFFFAOYSA-N
XLogP2.51
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 96565118
(2R)-2-[[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 51808667
2-[[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 45369620
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 91822699
2-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-phenylacetic acid
CID 71949707
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 46674241
2-[2-(3-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 4980358
3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46651422
N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55583357
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55360928
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55395310
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 71710543) is N-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide is COc1cc(-c2nc(CC(=O)NC(CO)C(C)C)cs2)cc(OC)c1OC.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is HNOLSGTWWBYGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-11(2)14(9-22)21-17(23)8-13-10-27-19(20-13)12-6-15(24-3)18(26-5)16(7-12)25-4/h6-7,10-11,14,22H,8-9H2,1-5H3,(H,21,23).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 394.49 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 71710543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).