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

C14H18N4O2S — CID 30255484

IUPAC1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2nc3c(s2)CCCCC3)CCC1=O
InChIInChI=1S/C14H18N4O2S/c1-18-12(19)8-7-10(17-18)13(20)16-14-15-9-5-3-2-4-6-11(9)21-14/h2-8H2,1H3,(H,15,16,20)
InChIKeyXBSPRJSOMPVOOB-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.96
Rot. Bonds2

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

1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 30255484) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID30255484
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2nc3c(s2)CCCCC3)CCC1=O
InChIInChI=1S/C14H18N4O2S/c1-18-12(19)8-7-10(17-18)13(20)16-14-15-9-5-3-2-4-6-11(9)21-14/h2-8H2,1H3,(H,15,16,20)
InChIKeyXBSPRJSOMPVOOB-UHFFFAOYSA-N
XLogP1.96
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 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) is 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2nc3c(s2)CCCCC3)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is XBSPRJSOMPVOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18-12(19)8-7-10(17-18)13(20)16-14-15-9-5-3-2-4-6-11(9)21-14/h2-8H2,1H3,(H,15,16,20).
What are the key properties of 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 30255484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).