N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide

C13H16N4O2S — CID 17394808

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nc(C(C)(C)C)cs2)ccc1=O
InChIInChI=1S/C13H16N4O2S/c1-13(2,3)9-7-20-12(14-9)15-11(19)8-5-6-10(18)17(4)16-8/h5-7H,1-4H3,(H,14,15,19)
InChIKeyLEKAVBLMSJWVKT-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.79
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 17394808) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID17394808
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nc(C(C)(C)C)cs2)ccc1=O
InChIInChI=1S/C13H16N4O2S/c1-13(2,3)9-7-20-12(14-9)15-11(19)8-5-6-10(18)17(4)16-8/h5-7H,1-4H3,(H,14,15,19)
InChIKeyLEKAVBLMSJWVKT-UHFFFAOYSA-N
XLogP1.79
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 86975559
methyl 2-[2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 38985076
5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 81316674
5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide
CID 19616004
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide
CID 113323542
5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 60725123
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-carbamothioylpyridine-2-carboxamide
CID 63749555
1-methyl-6-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide
CID 8023683
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
CID 103956653
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55722692
3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369370

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 17394808) is N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2nc(C(C)(C)C)cs2)ccc1=O.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is LEKAVBLMSJWVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-13(2,3)9-7-20-12(14-9)15-11(19)8-5-6-10(18)17(4)16-8/h5-7H,1-4H3,(H,14,15,19).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 17394808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).