6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide

C16H21N5O2S — CID 133406333

IUPAC6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCc1nc(CNc2ccc(C(=O)NC3CCOCC3)nn2)c(C)s1
InChIInChI=1S/C16H21N5O2S/c1-10-14(18-11(2)24-10)9-17-15-4-3-13(20-21-15)16(22)19-12-5-7-23-8-6-12/h3-4,12H,5-9H2,1-2H3,(H,17,21)(H,19,22)
InChIKeySKEWQYQLZOXASP-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.07
Rot. Bonds5

About 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide

6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide (PubChem CID 133406333) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
PubChem CID133406333
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCc1nc(CNc2ccc(C(=O)NC3CCOCC3)nn2)c(C)s1
InChIInChI=1S/C16H21N5O2S/c1-10-14(18-11(2)24-10)9-17-15-4-3-13(20-21-15)16(22)19-12-5-7-23-8-6-12/h3-4,12H,5-9H2,1-2H3,(H,17,21)(H,19,22)
InChIKeySKEWQYQLZOXASP-UHFFFAOYSA-N
XLogP2.07
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381708
6-[(1-methylbenzimidazol-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133383519
6-[2-(2-methoxyphenyl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382556
6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382089
6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133412817
6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381848
6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133395276
N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109112291
N-cycloheptyl-6-(ethylamino)pyridazine-3-carboxamide
CID 55042572
N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide
CID 133383535
6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382461
N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109112282

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide (CID 133406333) is 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide is Cc1nc(CNc2ccc(C(=O)NC3CCOCC3)nn2)c(C)s1.
What is the InChIKey of 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The InChIKey is SKEWQYQLZOXASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10-14(18-11(2)24-10)9-17-15-4-3-13(20-21-15)16(22)19-12-5-7-23-8-6-12/h3-4,12H,5-9H2,1-2H3,(H,17,21)(H,19,22).
What are the key properties of 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 133406333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).