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

C16H15N3OS2 — CID 972922

IUPAC1-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)cc1
InChIInChI=1S/C16H15N3OS2/c1-9-15(22-11(3)17-9)14-8-21-16(19-14)18-13-6-4-12(5-7-13)10(2)20/h4-8H,1-3H3,(H,18,19)
InChIKeyFTZINVFVENCLEX-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.83
Rot. Bonds4

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

1-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (PubChem CID 972922) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
PubChem CID972922
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name1-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)cc1
InChIInChI=1S/C16H15N3OS2/c1-9-15(22-11(3)17-9)14-8-21-16(19-14)18-13-6-4-12(5-7-13)10(2)20/h4-8H,1-3H3,(H,18,19)
InChIKeyFTZINVFVENCLEX-UHFFFAOYSA-N
XLogP4.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (CID 972922) is 1-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)cc1.
What is the InChIKey of 1-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The InChIKey is FTZINVFVENCLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-9-15(22-11(3)17-9)14-8-21-16(19-14)18-13-6-4-12(5-7-13)10(2)20/h4-8H,1-3H3,(H,18,19).
What are the key properties of 1-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
1-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone has a molecular weight of 329.45 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 972922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).