1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide

C14H18N4O2S — CID 18084560

IUPAC1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2nc(C)c(C)s2)ccc1=O
InChIInChI=1S/C14H18N4O2S/c1-4-5-8-18-12(19)7-6-11(17-18)13(20)16-14-15-9(2)10(3)21-14/h6-7H,4-5,8H2,1-3H3,(H,15,16,20)
InChIKeyXUYZYTRDTTXMPT-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.37
Rot. Bonds5

About 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 18084560) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide
PubChem CID18084560
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2nc(C)c(C)s2)ccc1=O
InChIInChI=1S/C14H18N4O2S/c1-4-5-8-18-12(19)7-6-11(17-18)13(20)16-14-15-9(2)10(3)21-14/h6-7H,4-5,8H2,1-3H3,(H,15,16,20)
InChIKeyXUYZYTRDTTXMPT-UHFFFAOYSA-N
XLogP2.37
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-ethyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
CID 72119713
1-methyl-N-(4-methylthiazol-2-yl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 2110480
N-[(2Z)-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
CID 52900017
6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide
CID 43068601
1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 8894174
2-(3-methyl-6-oxopyridazin-1(6H)-yl)-N-(4-methylthiazol-2-yl)propanamide
CID 49704796
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 17394808
6-oxo-1-propyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 17486060
1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 18081125
1-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 18081152
N-(4-methylthiazol-2-yl)-6-oxo-1-propyl-1,6-dihydropyridazine-3-carboxamide
CID 18081300
N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 18081329

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide (CID 18084560) is 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2nc(C)c(C)s2)ccc1=O.
What is the InChIKey of 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is XUYZYTRDTTXMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-4-5-8-18-12(19)7-6-11(17-18)13(20)16-14-15-9(2)10(3)21-14/h6-7H,4-5,8H2,1-3H3,(H,15,16,20).
What are the key properties of 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 18084560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).