4-pyridin-2-yl-3H-1,3-thiazol-2-one

C8H6N2OS — CID 43286791

IUPAC4-pyridin-2-yl-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2ccccn2)cs1
InChIInChI=1S/C8H6N2OS/c11-8-10-7(5-12-8)6-3-1-2-4-9-6/h1-5H,(H,10,11)
InChIKeyBTIRGDFIZZGHDN-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.50
Rot. Bonds1

About 4-pyridin-2-yl-3H-1,3-thiazol-2-one

4-pyridin-2-yl-3H-1,3-thiazol-2-one (PubChem CID 43286791) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 4-pyridin-2-yl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-pyridin-2-yl-3H-1,3-thiazol-2-one
PubChem CID43286791
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name4-pyridin-2-yl-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2ccccn2)cs1
InChIInChI=1S/C8H6N2OS/c11-8-10-7(5-12-8)6-3-1-2-4-9-6/h1-5H,(H,10,11)
InChIKeyBTIRGDFIZZGHDN-UHFFFAOYSA-N
XLogP1.50
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-methyl-1-(pyridin-2-yl)methanamine
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(Z)-5-(pyridin-2-ylmethylene)thiazolidine-2,4-dione
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5-(2-Pyridylmethylene)rhodanine
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(2-Aminoethyl)(pyridin-2-ylmethyl)amine
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N-(pyridin-2-ylmethyl)acetamide
CID 5084090
N-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 2746659
N-phenyl-2-(2-pyridylmethylthio)acetamide
CID 650720
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CID 2998490

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-pyridin-2-yl-3H-1,3-thiazol-2-one (CID 43286791) is 4-pyridin-2-yl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-pyridin-2-yl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-pyridin-2-yl-3H-1,3-thiazol-2-one is O=c1[nH]c(-c2ccccn2)cs1.
What is the InChIKey of 4-pyridin-2-yl-3H-1,3-thiazol-2-one?
The InChIKey is BTIRGDFIZZGHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-8-10-7(5-12-8)6-3-1-2-4-9-6/h1-5H,(H,10,11).
What are the key properties of 4-pyridin-2-yl-3H-1,3-thiazol-2-one?
4-pyridin-2-yl-3H-1,3-thiazol-2-one has a molecular weight of 178.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 43286791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).