1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one

C14H17N3OS — CID 50761438

IUPAC1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1sc(Nc2ccccc2CC)nc1N
InChIInChI=1S/C14H17N3OS/c1-3-9-7-5-6-8-10(9)16-14-17-13(15)12(19-14)11(18)4-2/h5-8H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyOTPMVYFFVNEHJT-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.62
Rot. Bonds5

About 1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one

1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 50761438) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one
PubChem CID50761438
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1sc(Nc2ccccc2CC)nc1N
InChIInChI=1S/C14H17N3OS/c1-3-9-7-5-6-8-10(9)16-14-17-13(15)12(19-14)11(18)4-2/h5-8H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyOTPMVYFFVNEHJT-UHFFFAOYSA-N
XLogP3.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one
CID 46285692
2-N-(2-ethylphenyl)-1,3-benzothiazole-2,6-diamine
CID 63402819
2-(2-ethylanilino)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365483
2-(2-ethylanilino)-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365440
2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152829
N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365458
1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane
CID 144672585
2-(2-ethylanilino)-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845466
N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845488
2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95394541
4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 102909079
2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365490

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one (CID 50761438) is 1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one is CCC(=O)c1sc(Nc2ccccc2CC)nc1N.
What is the InChIKey of 1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is OTPMVYFFVNEHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-9-7-5-6-8-10(9)16-14-17-13(15)12(19-14)11(18)4-2/h5-8H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one?
1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 275.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 50761438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).