1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone

C14H16N2OS — CID 64542419

IUPAC1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone
SMILESCCN(Cc1ccccc1)c1nc(C(C)=O)cs1
InChIInChI=1S/C14H16N2OS/c1-3-16(9-12-7-5-4-6-8-12)14-15-13(10-18-14)11(2)17/h4-8,10H,3,9H2,1-2H3
InChIKeyJMDWVTVYFFMICK-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.37
Rot. Bonds5

About 1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone

1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone (PubChem CID 64542419) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone
PubChem CID64542419
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone
SMILESCCN(Cc1ccccc1)c1nc(C(C)=O)cs1
InChIInChI=1S/C14H16N2OS/c1-3-16(9-12-7-5-4-6-8-12)14-15-13(10-18-14)11(2)17/h4-8,10H,3,9H2,1-2H3
InChIKeyJMDWVTVYFFMICK-UHFFFAOYSA-N
XLogP3.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569601
1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone
CID 64544213
2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568359
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62764764
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 55113031
1-[2-[bis(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543850
1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone
CID 64543825
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568795
1-[2-(dibenzylamino)-1,3-thiazol-4-yl]ethanol
CID 130160087
1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543631
ethyl 2-(N-benzyl-4-cyanoanilino)-1,3-thiazole-4-carboxylate
CID 135354127
ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568223

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone (CID 64542419) is 1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone is CCN(Cc1ccccc1)c1nc(C(C)=O)cs1.
What is the InChIKey of 1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone?
The InChIKey is JMDWVTVYFFMICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-3-16(9-12-7-5-4-6-8-12)14-15-13(10-18-14)11(2)17/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone?
1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone has a molecular weight of 260.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64542419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).