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

C13H14N4O2S — CID 46525125

IUPAC6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H14N4O2S/c18-11-7-6-9(16-17-11)12(19)15-13-14-8-4-2-1-3-5-10(8)20-13/h6-7H,1-5H2,(H,17,18)(H,14,15,19)
InChIKeyWSHPGJJNKCCYQD-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.75
Rot. Bonds2

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

6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridazine-3-carboxamide (PubChem CID 46525125) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridazine-3-carboxamide
PubChem CID46525125
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H14N4O2S/c18-11-7-6-9(16-17-11)12(19)15-13-14-8-4-2-1-3-5-10(8)20-13/h6-7H,1-5H2,(H,17,18)(H,14,15,19)
InChIKeyWSHPGJJNKCCYQD-UHFFFAOYSA-N
XLogP1.75
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-methyl-6-oxo-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-1,6-dihydropyridazine-3-carboxamide
CID 16389826
6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridine-3-carboxamide
CID 17456716
1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide
CID 24611852
1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide
CID 30255484
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 33039001
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 33040937
6-oxo-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-1,6-dihydropyridazine-3-carboxamide
CID 37814660
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 43020275
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46524515
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 47070900
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 47214956
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 47343061

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridazine-3-carboxamide (CID 46525125) is 6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridazine-3-carboxamide is O=C(Nc1nc2c(s1)CCCCC2)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridazine-3-carboxamide?
The InChIKey is WSHPGJJNKCCYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-11-7-6-9(16-17-11)12(19)15-13-14-8-4-2-1-3-5-10(8)20-13/h6-7H,1-5H2,(H,17,18)(H,14,15,19).
What are the key properties of 6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridazine-3-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 46525125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).