N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C11H11N5O3S — CID 24598783

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nc(CC(N)=O)cs2)ccc1=O
InChIInChI=1S/C11H11N5O3S/c1-16-9(18)3-2-7(15-16)10(19)14-11-13-6(5-20-11)4-8(12)17/h2-3,5H,4H2,1H3,(H2,12,17)(H,13,14,19)
InChIKeyCXMVMRLQWUQBBC-UHFFFAOYSA-N
MW293.31 g/mol
LogP-0.48
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 24598783) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID24598783
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nc(CC(N)=O)cs2)ccc1=O
InChIInChI=1S/C11H11N5O3S/c1-16-9(18)3-2-7(15-16)10(19)14-11-13-6(5-20-11)4-8(12)17/h2-3,5H,4H2,1H3,(H2,12,17)(H,13,14,19)
InChIKeyCXMVMRLQWUQBBC-UHFFFAOYSA-N
XLogP-0.48
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 24598783) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2nc(CC(N)=O)cs2)ccc1=O.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is CXMVMRLQWUQBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c1-16-9(18)3-2-7(15-16)10(19)14-11-13-6(5-20-11)4-8(12)17/h2-3,5H,4H2,1H3,(H2,12,17)(H,13,14,19).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 293.31 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 24598783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).