4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide

C13H13N3O2S — CID 103384975

IUPAC4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1c[nH]ccc1=O
InChIInChI=1S/C13H13N3O2S/c17-10-5-6-14-7-8(10)12(18)16-13-15-9-3-1-2-4-11(9)19-13/h5-7H,1-4H2,(H,14,17)(H,15,16,18)
InChIKeyZRKQDDJTHVXACJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.96
Rot. Bonds2

About 4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide

4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide (PubChem CID 103384975) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide
PubChem CID103384975
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1c[nH]ccc1=O
InChIInChI=1S/C13H13N3O2S/c17-10-5-6-14-7-8(10)12(18)16-13-15-9-3-1-2-4-11(9)19-13/h5-7H,1-4H2,(H,14,17)(H,15,16,18)
InChIKeyZRKQDDJTHVXACJ-UHFFFAOYSA-N
XLogP1.96
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-4-carboxamide
CID 103763527
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
2-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-carboxamide
CID 106686629
2,3-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 105381051
5-fluoro-2-hydroxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 79883380
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
4-bromo-2-hydroxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 63526621
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134
3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 115930466
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide (CID 103384975) is 4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide is O=C(Nc1nc2c(s1)CCCC2)c1c[nH]ccc1=O.
What is the InChIKey of 4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide?
The InChIKey is ZRKQDDJTHVXACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-10-5-6-14-7-8(10)12(18)16-13-15-9-3-1-2-4-11(9)19-13/h5-7H,1-4H2,(H,14,17)(H,15,16,18).
What are the key properties of 4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide?
4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103384975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).