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

C12H12N4O2S — CID 33040937

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nc3c(s2)CCC3)ccc1=O
InChIInChI=1S/C12H12N4O2S/c1-16-10(17)6-5-8(15-16)11(18)14-12-13-7-3-2-4-9(7)19-12/h5-6H,2-4H2,1H3,(H,13,14,18)
InChIKeyQIHKSGHRTCZPEY-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.98
Rot. Bonds2

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

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 33040937) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID33040937
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nc3c(s2)CCC3)ccc1=O
InChIInChI=1S/C12H12N4O2S/c1-16-10(17)6-5-8(15-16)11(18)14-12-13-7-3-2-4-9(7)19-12/h5-6H,2-4H2,1H3,(H,13,14,18)
InChIKeyQIHKSGHRTCZPEY-UHFFFAOYSA-N
XLogP0.98
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 33040625
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrimidine-2,4-dione
CID 166036136
1-methyl-6-oxo-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-1,6-dihydropyridazine-3-carboxamide
CID 16389826
6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 17486060
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 18084544
1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 18084560
1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide
CID 24611852
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 33039001
6-oxo-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-1,6-dihydropyridazine-3-carboxamide
CID 37814660
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 38039287
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxopyridine-3-carboxamide
CID 45898148
6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1H-pyridazine-3-carboxamide
CID 46525125

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 33040937) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(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-oxopyridazine-3-carboxamide?
The InChIKey is QIHKSGHRTCZPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-16-10(17)6-5-8(15-16)11(18)14-12-13-7-3-2-4-9(7)19-12/h5-6H,2-4H2,1H3,(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-oxopyridazine-3-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 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-oxopyridazine-3-carboxamide is sourced from PubChem (CID 33040937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).