1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone

C15H14N4OS2 — CID 2866921

IUPAC1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3sc(N)nc3C)cs2)c1
InChIInChI=1S/C15H14N4OS2/c1-8-13(22-14(16)17-8)12-7-21-15(19-12)18-11-5-3-4-10(6-11)9(2)20/h3-7H,1-2H3,(H2,16,17)(H,18,19)
InChIKeyYCDNHXBICNPJFK-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.10
Rot. Bonds4

About 1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone

1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (PubChem CID 2866921) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
PubChem CID2866921
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC Name1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3sc(N)nc3C)cs2)c1
InChIInChI=1S/C15H14N4OS2/c1-8-13(22-14(16)17-8)12-7-21-15(19-12)18-11-5-3-4-10(6-11)9(2)20/h3-7H,1-2H3,(H2,16,17)(H,18,19)
InChIKeyYCDNHXBICNPJFK-UHFFFAOYSA-N
XLogP4.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (CID 2866921) is 1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2nc(-c3sc(N)nc3C)cs2)c1.
What is the InChIKey of 1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The InChIKey is YCDNHXBICNPJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c1-8-13(22-14(16)17-8)12-7-21-15(19-12)18-11-5-3-4-10(6-11)9(2)20/h3-7H,1-2H3,(H2,16,17)(H,18,19).
What are the key properties of 1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone has a molecular weight of 330.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 2866921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).