N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C19H18N4O2S — CID 90604030

IUPACN-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CN(c3nc4ccccc4s3)C2)cc1
InChIInChI=1S/C19H18N4O2S/c1-12(24)20-14-6-8-15(9-7-14)21-18(25)13-10-23(11-13)19-22-16-4-2-3-5-17(16)26-19/h2-9,13H,10-11H2,1H3,(H,20,24)(H,21,25)
InChIKeyVYHNETOPPPRWJW-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.33
Rot. Bonds4

About N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide

N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 90604030) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide
PubChem CID90604030
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CN(c3nc4ccccc4s3)C2)cc1
InChIInChI=1S/C19H18N4O2S/c1-12(24)20-14-6-8-15(9-7-14)21-18(25)13-10-23(11-13)19-22-16-4-2-3-5-17(16)26-19/h2-9,13H,10-11H2,1H3,(H,20,24)(H,21,25)
InChIKeyVYHNETOPPPRWJW-UHFFFAOYSA-N
XLogP3.33
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-(4-phenoxyphenyl)azetidine-3-carboxamide
CID 90604038
1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90604056
1-(1,3-benzothiazol-2-yl)-N-(2-methylsulfanylphenyl)azetidine-3-carboxamide
CID 52908004
1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 90609323
1-(1,3-benzothiazol-2-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide
CID 90609916
1-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43815632
1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide
CID 90603975
methyl 4-[[1-(1,3-benzothiazol-2-yl)piperidine-3-carbonyl]amino]benzoate
CID 90610013
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239
1-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 90609326
N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128234
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide
CID 121128464

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 90604030) is N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CN(c3nc4ccccc4s3)C2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is VYHNETOPPPRWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-12(24)20-14-6-8-15(9-7-14)21-18(25)13-10-23(11-13)19-22-16-4-2-3-5-17(16)26-19/h2-9,13H,10-11H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90604030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).