N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide

C16H20N2O3S — CID 17404839

IUPACN-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCOc1ccc(OCC)c(-c2csc(NC(=O)CC)n2)c1
InChIInChI=1S/C16H20N2O3S/c1-4-15(19)18-16-17-13(10-22-16)12-9-11(20-5-2)7-8-14(12)21-6-3/h7-10H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyHUOSIXGGQLSFST-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.96
Rot. Bonds7

About N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide

N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 17404839) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID17404839
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCOc1ccc(OCC)c(-c2csc(NC(=O)CC)n2)c1
InChIInChI=1S/C16H20N2O3S/c1-4-15(19)18-16-17-13(10-22-16)12-9-11(20-5-2)7-8-14(12)21-6-3/h7-10H,4-6H2,1-3H3,(H,17,18,19)
InChIKeyHUOSIXGGQLSFST-UHFFFAOYSA-N
XLogP3.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 17404838
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
(3S)-N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41179838
(3R)-N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41179839
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19196497
4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide
CID 78878927
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 4517155
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 17404839) is N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide is CCOc1ccc(OCC)c(-c2csc(NC(=O)CC)n2)c1.
What is the InChIKey of N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is HUOSIXGGQLSFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-15(19)18-16-17-13(10-22-16)12-9-11(20-5-2)7-8-14(12)21-6-3/h7-10H,4-6H2,1-3H3,(H,17,18,19).
What are the key properties of N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 320.41 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 17404839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).