3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide

C17H24N4O2S — CID 97059070

IUPAC3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide
SMILESCCc1n[nH]c(=O)c(C(=O)N[C@H](C)c2csc(C(C)C)n2)c1CC
InChIInChI=1S/C17H24N4O2S/c1-6-11-12(7-2)20-21-16(23)14(11)15(22)18-10(5)13-8-24-17(19-13)9(3)4/h8-10H,6-7H2,1-5H3,(H,18,22)(H,21,23)/t10-/m1/s1
InChIKeyANDBEJZJBZEVRY-SNVBAGLBSA-N
MW348.47 g/mol
LogP2.97
Rot. Bonds6

About 3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide

3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide (PubChem CID 97059070) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide
PubChem CID97059070
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide
SMILESCCc1n[nH]c(=O)c(C(=O)N[C@H](C)c2csc(C(C)C)n2)c1CC
InChIInChI=1S/C17H24N4O2S/c1-6-11-12(7-2)20-21-16(23)14(11)15(22)18-10(5)13-8-24-17(19-13)9(3)4/h8-10H,6-7H2,1-5H3,(H,18,22)(H,21,23)/t10-/m1/s1
InChIKeyANDBEJZJBZEVRY-SNVBAGLBSA-N
XLogP2.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 100671691
2-[[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 120528574
4-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]butanoic acid
CID 119352743
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea
CID 71846788
2-benzyl-3-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 120525163
2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid
CID 119358781
3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 71853824
5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 120552216
3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide
CID 120873070
5-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methylbenzoic acid
CID 120528938
4-[3-oxo-3-[[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propyl]benzoic acid
CID 97323988
6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137262968

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide?
The IUPAC name of 3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide (CID 97059070) is 3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide is CCc1n[nH]c(=O)c(C(=O)N[C@H](C)c2csc(C(C)C)n2)c1CC.
What is the InChIKey of 3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide?
The InChIKey is ANDBEJZJBZEVRY-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-6-11-12(7-2)20-21-16(23)14(11)15(22)18-10(5)13-8-24-17(19-13)9(3)4/h8-10H,6-7H2,1-5H3,(H,18,22)(H,21,23)/t10-/m1/s1.
What are the key properties of 3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide?
3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-6-oxo-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 97059070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).