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

C14H16N4O2S — CID 118790465

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCc2nc3c(s2)CCC3)ccc1=O
InChIInChI=1S/C14H16N4O2S/c1-18-13(19)6-5-10(17-18)14(20)15-8-7-12-16-9-3-2-4-11(9)21-12/h5-6H,2-4,7-8H2,1H3,(H,15,20)
InChIKeyMYEXCNMNNXTWEF-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.70
Rot. Bonds4

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

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 118790465) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID118790465
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCc2nc3c(s2)CCC3)ccc1=O
InChIInChI=1S/C14H16N4O2S/c1-18-13(19)6-5-10(17-18)14(20)15-8-7-12-16-9-3-2-4-11(9)21-12/h5-6H,2-4,7-8H2,1H3,(H,15,20)
InChIKeyMYEXCNMNNXTWEF-UHFFFAOYSA-N
XLogP0.70
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 118790465) is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCCc2nc3c(s2)CCC3)ccc1=O.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is MYEXCNMNNXTWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-18-13(19)6-5-10(17-18)14(20)15-8-7-12-16-9-3-2-4-11(9)21-12/h5-6H,2-4,7-8H2,1H3,(H,15,20).
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 118790465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).