N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

C15H18N2O4S — CID 2666604

IUPACN-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2nccs2)cc(OC)c1OC
InChIInChI=1S/C15H18N2O4S/c1-19-11-8-10(9-12(20-2)14(11)21-3)4-5-13(18)17-15-16-6-7-22-15/h6-9H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyPAYZAWSSYJABMH-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.74
Rot. Bonds7

About N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 2666604) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID2666604
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2nccs2)cc(OC)c1OC
InChIInChI=1S/C15H18N2O4S/c1-19-11-8-10(9-12(20-2)14(11)21-3)4-5-13(18)17-15-16-6-7-22-15/h6-9H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyPAYZAWSSYJABMH-UHFFFAOYSA-N
XLogP2.74
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-Trimethoxy-N-(1,3-thiazol-2-YL)benzamide
CID 606801
Thiourea, N-(2-(2,6-dimethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001088
3-(3,4-dimethoxyphenyl)-N-(thiazol-2-yl)propanamide
CID 2118575
2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2514833
N-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2550668
3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 3707305
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 4882898
2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3120539
3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721807
3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49851580
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 2163381
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 2666604) is N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2nccs2)cc(OC)c1OC.
What is the InChIKey of N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is PAYZAWSSYJABMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-19-11-8-10(9-12(20-2)14(11)21-3)4-5-13(18)17-15-16-6-7-22-15/h6-9H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 322.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 2666604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).