N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide

C16H20N2O3S — CID 861949

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)c1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C16H20N2O3S/c1-5-15(19)18(6-2)16-17-13(10-22-16)12-9-11(20-3)7-8-14(12)21-4/h7-10H,5-6H2,1-4H3
InChIKeyAGAJAYIBLJRRSP-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.59
Rot. Bonds6

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide (PubChem CID 861949) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide
PubChem CID861949
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)c1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C16H20N2O3S/c1-5-15(19)18(6-2)16-17-13(10-22-16)12-9-11(20-3)7-8-14(12)21-4/h7-10H,5-6H2,1-4H3
InChIKeyAGAJAYIBLJRRSP-UHFFFAOYSA-N
XLogP3.59
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
N-Ethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 645119
1-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144332
1-[4-(3-Propan-2-yloxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide
CID 46907658
4-[4-(4-Fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 118310056
JT010
CID 18524489
1-Benzyl-4-[4-(3-methoxy-phenyl)-thiazol-2-yl]-piperazine
CID 653037
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-N-(3-methoxy-propyl)-acetamide
CID 656248
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 735048
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenylacetamide
CID 1138502
N-Benzyl-2-phenoxy-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1139390
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-2-fluoro-benzamide
CID 1160658

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide (CID 861949) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide is CCC(=O)N(CC)c1nc(-c2cc(OC)ccc2OC)cs1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide?
The InChIKey is AGAJAYIBLJRRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-5-15(19)18(6-2)16-17-13(10-22-16)12-9-11(20-3)7-8-14(12)21-4/h7-10H,5-6H2,1-4H3.
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide has a molecular weight of 320.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylpropanamide is sourced from PubChem (CID 861949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).