2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide

C19H20N6OS — CID 126919925

IUPAC2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CN(c3ccc(-c4ccncc4)nn3)C2)s1
InChIInChI=1S/C19H20N6OS/c1-12-18(27-13(2)22-12)19(26)21-9-14-10-25(11-14)17-4-3-16(23-24-17)15-5-7-20-8-6-15/h3-8,14H,9-11H2,1-2H3,(H,21,26)
InChIKeyIFYHGEKZYTUMGL-UHFFFAOYSA-N
MW380.48 g/mol
LogP2.48
Rot. Bonds5

About 2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 126919925) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID126919925
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CN(c3ccc(-c4ccncc4)nn3)C2)s1
InChIInChI=1S/C19H20N6OS/c1-12-18(27-13(2)22-12)19(26)21-9-14-10-25(11-14)17-4-3-16(23-24-17)15-5-7-20-8-6-15/h3-8,14H,9-11H2,1-2H3,(H,21,26)
InChIKeyIFYHGEKZYTUMGL-UHFFFAOYSA-N
XLogP2.48
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-(2-methyl-1,3-thiazol-5-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126919980
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126919969
2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 126919987
1-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]piperidine-3-carboxamide
CID 126919959
1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine
CID 126920097
6-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-amine
CID 126920030
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrimidin-2-amine
CID 126920018
2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126919957
N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 106127337
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide
CID 126920005
3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126920179
2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one
CID 126920175

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide (CID 126919925) is 2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC2CN(c3ccc(-c4ccncc4)nn3)C2)s1.
What is the InChIKey of 2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IFYHGEKZYTUMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-12-18(27-13(2)22-12)19(26)21-9-14-10-25(11-14)17-4-3-16(23-24-17)15-5-7-20-8-6-15/h3-8,14H,9-11H2,1-2H3,(H,21,26).
What are the key properties of 2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 380.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126919925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).