N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C12H14N4O2S — CID 33040625

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2nc3c(s2)CCC3)CCC1=O
InChIInChI=1S/C12H14N4O2S/c1-16-10(17)6-5-8(15-16)11(18)14-12-13-7-3-2-4-9(7)19-12/h2-6H2,1H3,(H,13,14,18)
InChIKeyBMEXXKZQNOEUNE-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.18
Rot. Bonds2

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 33040625) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID33040625
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2nc3c(s2)CCC3)CCC1=O
InChIInChI=1S/C12H14N4O2S/c1-16-10(17)6-5-8(15-16)11(18)14-12-13-7-3-2-4-9(7)19-12/h2-6H2,1H3,(H,13,14,18)
InChIKeyBMEXXKZQNOEUNE-UHFFFAOYSA-N
XLogP1.18
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 5115917
N-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide
CID 173496285
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2-dimethylbutanamide
CID 3407799
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2-dimethylpropanamide
CID 3494763
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpentanamide
CID 4120685
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide
CID 4381572
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylbutanamide
CID 4449488
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)-1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30796760
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30796761
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)pentanamide
CID 33039661

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 33040625) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2nc3c(s2)CCC3)CCC1=O.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is BMEXXKZQNOEUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-16-10(17)6-5-8(15-16)11(18)14-12-13-7-3-2-4-9(7)19-12/h2-6H2,1H3,(H,13,14,18).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 33040625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).