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

C16H13N3OS — CID 785017

IUPAC1-[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3cccnc3)cs2)c1
InChIInChI=1S/C16H13N3OS/c1-11(20)12-4-2-6-14(8-12)18-16-19-15(10-21-16)13-5-3-7-17-9-13/h2-10H,1H3,(H,18,19)
InChIKeySRBBQLDKUXHIHL-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.15
Rot. Bonds4

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

1-[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone (PubChem CID 785017) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone
PubChem CID785017
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name1-[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3cccnc3)cs2)c1
InChIInChI=1S/C16H13N3OS/c1-11(20)12-4-2-6-14(8-12)18-16-19-15(10-21-16)13-5-3-7-17-9-13/h2-10H,1H3,(H,18,19)
InChIKeySRBBQLDKUXHIHL-UHFFFAOYSA-N
XLogP4.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone (CID 785017) is 1-[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone is CC(=O)c1cccc(Nc2nc(-c3cccnc3)cs2)c1.
What is the InChIKey of 1-[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
The InChIKey is SRBBQLDKUXHIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-11(20)12-4-2-6-14(8-12)18-16-19-15(10-21-16)13-5-3-7-17-9-13/h2-10H,1H3,(H,18,19).
What are the key properties of 1-[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone?
1-[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone has a molecular weight of 295.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 785017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).