1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane

C15H20N2OS — CID 144672585

IUPAC1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane
SMILESCC.CCC(=O)c1sc(Nc2ccccc2)nc1C
InChIInChI=1S/C13H14N2OS.C2H6/c1-3-11(16)12-9(2)14-13(17-12)15-10-7-5-4-6-8-10;1-2/h4-8H,3H2,1-2H3,(H,14,15);1-2H3
InChIKeyALCITPVYMNJXTF-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.81
Rot. Bonds4

About 1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane

1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane (PubChem CID 144672585) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane.

Molecular Properties

Compound Name1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane
PubChem CID144672585
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane
SMILESCC.CCC(=O)c1sc(Nc2ccccc2)nc1C
InChIInChI=1S/C13H14N2OS.C2H6/c1-3-11(16)12-9(2)14-13(17-12)15-10-7-5-4-6-8-10;1-2/h4-8H,3H2,1-2H3,(H,14,15);1-2H3
InChIKeyALCITPVYMNJXTF-UHFFFAOYSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane?
The IUPAC name of 1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane (CID 144672585) is 1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane.
What is the SMILES notation for 1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane?
The canonical SMILES for 1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane is CC.CCC(=O)c1sc(Nc2ccccc2)nc1C.
What is the InChIKey of 1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane?
The InChIKey is ALCITPVYMNJXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS.C2H6/c1-3-11(16)12-9(2)14-13(17-12)15-10-7-5-4-6-8-10;1-2/h4-8H,3H2,1-2H3,(H,14,15);1-2H3.
What are the key properties of 1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane?
1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane has a molecular weight of 276.41 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane is sourced from PubChem (CID 144672585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).