N-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C17H18N4OS2 — CID 1144657

IUPACN-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1
InChIInChI=1S/C17H18N4OS2/c1-4-12-7-5-6-8-13(12)20-16-21-14(9-23-16)15-10(2)18-17(24-15)19-11(3)22/h5-9H,4H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyVTAVMLBYURGETF-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.84
Rot. Bonds5

About N-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 1144657) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID1144657
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC NameN-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1
InChIInChI=1S/C17H18N4OS2/c1-4-12-7-5-6-8-13(12)20-16-21-14(9-23-16)15-10(2)18-17(24-15)19-11(3)22/h5-9H,4H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyVTAVMLBYURGETF-UHFFFAOYSA-N
XLogP4.84
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 1144657) is N-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CCc1ccccc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.
What is the InChIKey of N-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is VTAVMLBYURGETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-4-12-7-5-6-8-13(12)20-16-21-14(9-23-16)15-10(2)18-17(24-15)19-11(3)22/h5-9H,4H2,1-3H3,(H,20,21)(H,18,19,22).
What are the key properties of N-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-ethylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1144657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).