2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C15H19N3O3S — CID 110386143

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cc2csc(N)n2)cc1OC
InChIInChI=1S/C15H19N3O3S/c1-20-12-4-3-10(7-13(12)21-2)5-6-17-14(19)8-11-9-22-15(16)18-11/h3-4,7,9H,5-6,8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyIUHDQNRIJYZDGN-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.64
Rot. Bonds7

About 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 110386143) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID110386143
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cc2csc(N)n2)cc1OC
InChIInChI=1S/C15H19N3O3S/c1-20-12-4-3-10(7-13(12)21-2)5-6-17-14(19)8-11-9-22-15(16)18-11/h3-4,7,9H,5-6,8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyIUHDQNRIJYZDGN-UHFFFAOYSA-N
XLogP1.64
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9404295
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 9404366
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62798218
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32735530
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940810
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3-hydroxyphenyl)ethyl]acetamide
CID 110483661
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 16898722
3,4-dimethoxy-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18568006
2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4179045
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 110386143) is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cc2csc(N)n2)cc1OC.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is IUHDQNRIJYZDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-20-12-4-3-10(7-13(12)21-2)5-6-17-14(19)8-11-9-22-15(16)18-11/h3-4,7,9H,5-6,8H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 110386143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).