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

C20H23N5OS — CID 126917690

IUPACN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(C)(C)c1ccc(N2CC(CNC(=O)c3ccc4ncsc4c3)C2)nn1
InChIInChI=1S/C20H23N5OS/c1-20(2,3)17-6-7-18(24-23-17)25-10-13(11-25)9-21-19(26)14-4-5-15-16(8-14)27-12-22-15/h4-8,12-13H,9-11H2,1-3H3,(H,21,26)
InChIKeyJVMWWPXHDKDFHJ-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.25
Rot. Bonds4

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

N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 126917690) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID126917690
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(C)(C)c1ccc(N2CC(CNC(=O)c3ccc4ncsc4c3)C2)nn1
InChIInChI=1S/C20H23N5OS/c1-20(2,3)17-6-7-18(24-23-17)25-10-13(11-25)9-21-19(26)14-4-5-15-16(8-14)27-12-22-15/h4-8,12-13H,9-11H2,1-3H3,(H,21,26)
InChIKeyJVMWWPXHDKDFHJ-UHFFFAOYSA-N
XLogP3.25
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide with MolForge

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 2089669
2-(6-Methylaminopyridin-3-yl)benzothiazole-6-carboxamide
CID 24804394
N-[3-(Dibutylamino)propyl]-2-(piperidin-1-YL)-1,3-benzothiazole-6-carboxamide
CID 16011425
N-{3-[Butyl(methyl)amino]propyl}-2-(piperidin-1-YL)-1,3-benzothiazole-6-carboxamide
CID 16011427
N-benzyl-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 16011631
2-(4-methylpiperidin-1-yl)-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 16011653
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-2-(1-piperidinyl)-1,3-benzothiazole-6-carboxamide
CID 20889614
2-(4-Methylpiperidin-1-YL)-N-[3-(piperidin-1-YL)propyl]-1,3-benzothiazole-6-carboxamide
CID 20889681
US11248001, Example 26
CID 154653554
US11248001, Example 247
CID 154653677
US11248001, Example 240
CID 154653788
US11248001, Example 246
CID 154653928

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide (CID 126917690) is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide is CC(C)(C)c1ccc(N2CC(CNC(=O)c3ccc4ncsc4c3)C2)nn1.
What is the InChIKey of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is JVMWWPXHDKDFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-20(2,3)17-6-7-18(24-23-17)25-10-13(11-25)9-21-19(26)14-4-5-15-16(8-14)27-12-22-15/h4-8,12-13H,9-11H2,1-3H3,(H,21,26).
What are the key properties of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide?
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 126917690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).