N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide

C19H22N6OS — CID 126918035

IUPACN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nsnc2c1)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C19H22N6OS/c1-19(2,3)16-7-8-17(21-20-16)25-10-13(11-25)24(4)18(26)12-5-6-14-15(9-12)23-27-22-14/h5-9,13H,10-11H2,1-4H3
InChIKeyMWYUPIAUCLMYAR-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.74
Rot. Bonds3

About N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide

N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 126918035) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID126918035
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nsnc2c1)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C19H22N6OS/c1-19(2,3)16-7-8-17(21-20-16)25-10-13(11-25)24(4)18(26)12-5-6-14-15(9-12)23-27-22-14/h5-9,13H,10-11H2,1-4H3
InChIKeyMWYUPIAUCLMYAR-UHFFFAOYSA-N
XLogP2.74
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide (CID 126918035) is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide is CN(C(=O)c1ccc2nsnc2c1)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is MWYUPIAUCLMYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-19(2,3)16-7-8-17(21-20-16)25-10-13(11-25)24(4)18(26)12-5-6-14-15(9-12)23-27-22-14/h5-9,13H,10-11H2,1-4H3.
What are the key properties of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide?
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 126918035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).