N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C19H16N4OS — CID 121128332

IUPACN-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCc1ccc2nc(N3CC(C(=O)Nc4ccc(C#N)cc4)C3)sc2c1
InChIInChI=1S/C19H16N4OS/c1-12-2-7-16-17(8-12)25-19(22-16)23-10-14(11-23)18(24)21-15-5-3-13(9-20)4-6-15/h2-8,14H,10-11H2,1H3,(H,21,24)
InChIKeyQKNOZULVRUQTGA-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.55
Rot. Bonds3

About N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 121128332) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
PubChem CID121128332
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCc1ccc2nc(N3CC(C(=O)Nc4ccc(C#N)cc4)C3)sc2c1
InChIInChI=1S/C19H16N4OS/c1-12-2-7-16-17(8-12)25-19(22-16)23-10-14(11-23)18(24)21-15-5-3-13(9-20)4-6-15/h2-8,14H,10-11H2,1H3,(H,21,24)
InChIKeyQKNOZULVRUQTGA-UHFFFAOYSA-N
XLogP3.55
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128234
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239
butyl 4-[[1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carbonyl]amino]benzoate
CID 121128218
1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide
CID 90609420
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide
CID 121128464
1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2,3,4-trifluorophenyl)azetidine-3-carboxamide
CID 121128280
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 121128467
N-(4-ethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604241
N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128456
N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604030
N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611763
N-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128303

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 121128332) is N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is Cc1ccc2nc(N3CC(C(=O)Nc4ccc(C#N)cc4)C3)sc2c1.
What is the InChIKey of N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is QKNOZULVRUQTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-12-2-7-16-17(8-12)25-19(22-16)23-10-14(11-23)18(24)21-15-5-3-13(9-20)4-6-15/h2-8,14H,10-11H2,1H3,(H,21,24).
What are the key properties of N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121128332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).