N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide

C16H13N3OS — CID 884114

IUPACN-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H13N3OS/c1-11(20)18-14-6-4-12(5-7-14)15-10-21-16(19-15)13-3-2-8-17-9-13/h2-10H,1H3,(H,18,20)
InChIKeyIVRQJGYCUAAJOD-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.83
Rot. Bonds3

About N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide

N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 884114) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID884114
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H13N3OS/c1-11(20)18-14-6-4-12(5-7-14)15-10-21-16(19-15)13-3-2-8-17-9-13/h2-10H,1H3,(H,18,20)
InChIKeyIVRQJGYCUAAJOD-UHFFFAOYSA-N
XLogP3.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide (CID 884114) is N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is IVRQJGYCUAAJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-11(20)18-14-6-4-12(5-7-14)15-10-21-16(19-15)13-3-2-8-17-9-13/h2-10H,1H3,(H,18,20).
What are the key properties of N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide?
N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 295.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 884114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).