N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C22H25N3O2S — CID 121128713

IUPACN-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CN(c3nc4cc(OC)ccc4s3)C2)cc1
InChIInChI=1S/C22H25N3O2S/c1-3-4-5-15-6-8-17(9-7-15)23-21(26)16-13-25(14-16)22-24-19-12-18(27-2)10-11-20(19)28-22/h6-12,16H,3-5,13-14H2,1-2H3,(H,23,26)
InChIKeyKRNKBJCMXFFEQM-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.72
Rot. Bonds7

About N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 121128713) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
PubChem CID121128713
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CN(c3nc4cc(OC)ccc4s3)C2)cc1
InChIInChI=1S/C22H25N3O2S/c1-3-4-5-15-6-8-17(9-7-15)23-21(26)16-13-25(14-16)22-24-19-12-18(27-2)10-11-20(19)28-22/h6-12,16H,3-5,13-14H2,1-2H3,(H,23,26)
InChIKeyKRNKBJCMXFFEQM-UHFFFAOYSA-N
XLogP4.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128719
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239
N-(4-bromo-3-methylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128788
N-(4-ethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604241
N-[2-(4-fluorophenyl)ethyl]-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128838
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide
CID 121128707
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 121128686
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 121128800
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide
CID 121128670
N-(4-butylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604444
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128797
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
CID 121128799

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 121128713) is N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is CCCCc1ccc(NC(=O)C2CN(c3nc4cc(OC)ccc4s3)C2)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is KRNKBJCMXFFEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-3-4-5-15-6-8-17(9-7-15)23-21(26)16-13-25(14-16)22-24-19-12-18(27-2)10-11-20(19)28-22/h6-12,16H,3-5,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121128713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).