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

C16H20N2O4S — CID 2550668

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ncc(C)s2)cc(OC)c1OC
InChIInChI=1S/C16H20N2O4S/c1-10-9-17-16(23-10)18-14(19)6-5-11-7-12(20-2)15(22-4)13(8-11)21-3/h7-9H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyIRUSQBIMSILLQT-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.05
Rot. Bonds7

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

N-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 2550668) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID2550668
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ncc(C)s2)cc(OC)c1OC
InChIInChI=1S/C16H20N2O4S/c1-10-9-17-16(23-10)18-14(19)6-5-11-7-12(20-2)15(22-4)13(8-11)21-3/h7-9H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyIRUSQBIMSILLQT-UHFFFAOYSA-N
XLogP3.05
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(thiazol-2-yl)propanamide
CID 2118575
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2091162
cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 118716944
2-(3,4-dimethoxyphenyl)-N-[5-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 156020218
2-(3,4-dimethoxyphenyl)-N-[5-[4-(4-piperidin-1-ylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 156022269
3-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2102534
3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2110385
2-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2399334
3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2445798
N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2666604
1-[5-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907678

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 2550668) is N-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2ncc(C)s2)cc(OC)c1OC.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is IRUSQBIMSILLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-10-9-17-16(23-10)18-14(19)6-5-11-7-12(20-2)15(22-4)13(8-11)21-3/h7-9H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 336.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 2550668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).