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

C15H19N3O2S — CID 62798203

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(N)n1
InChIInChI=1S/C15H19N3O2S/c1-3-18(9-11-4-6-13(20-2)7-5-11)14(19)8-12-10-21-15(16)17-12/h4-7,10H,3,8-9H2,1-2H3,(H2,16,17)
InChIKeyKMVSKGFKHMCDGG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.33
Rot. Bonds6

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

2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 62798203) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID62798203
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(N)n1
InChIInChI=1S/C15H19N3O2S/c1-3-18(9-11-4-6-13(20-2)7-5-11)14(19)8-12-10-21-15(16)17-12/h4-7,10H,3,8-9H2,1-2H3,(H2,16,17)
InChIKeyKMVSKGFKHMCDGG-UHFFFAOYSA-N
XLogP2.33
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62852454
4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65483096
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 64678742
N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
CID 143940536
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 62800141
2-(2-amino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 62799940
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 31011595
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 120609423
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 55917442
N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 62921565
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 43049878

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 62798203) is 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide is CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is KMVSKGFKHMCDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-18(9-11-4-6-13(20-2)7-5-11)14(19)8-12-10-21-15(16)17-12/h4-7,10H,3,8-9H2,1-2H3,(H2,16,17).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 62798203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).