2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide

C14H15N3O2S — CID 24611838

IUPAC2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)c1ccc[nH]c1=O
InChIInChI=1S/C14H15N3O2S/c18-12-9(5-4-8-15-12)13(19)17-14-16-10-6-2-1-3-7-11(10)20-14/h4-5,8H,1-3,6-7H2,(H,15,18)(H,16,17,19)
InChIKeyOCBZSZVIHRBHCA-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.35
Rot. Bonds2

About 2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide

2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide (PubChem CID 24611838) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide
PubChem CID24611838
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)c1ccc[nH]c1=O
InChIInChI=1S/C14H15N3O2S/c18-12-9(5-4-8-15-12)13(19)17-14-16-10-6-2-1-3-7-11(10)20-14/h4-5,8H,1-3,6-7H2,(H,15,18)(H,16,17,19)
InChIKeyOCBZSZVIHRBHCA-UHFFFAOYSA-N
XLogP2.35
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide (CID 24611838) is 2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide is O=C(Nc1nc2c(s1)CCCCC2)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide?
The InChIKey is OCBZSZVIHRBHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-12-9(5-4-8-15-12)13(19)17-14-16-10-6-2-1-3-7-11(10)20-14/h4-5,8H,1-3,6-7H2,(H,15,18)(H,16,17,19).
What are the key properties of 2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide?
2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 24611838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).