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

C18H16FN3OS — CID 90604056

IUPAC1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CN(c3nc4ccccc4s3)C2)cc1F
InChIInChI=1S/C18H16FN3OS/c1-11-6-7-13(8-14(11)19)20-17(23)12-9-22(10-12)18-21-15-4-2-3-5-16(15)24-18/h2-8,12H,9-10H2,1H3,(H,20,23)
InChIKeySRFBEZNDGSJGBT-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.82
Rot. Bonds3

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

1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide (PubChem CID 90604056) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
PubChem CID90604056
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CN(c3nc4ccccc4s3)C2)cc1F
InChIInChI=1S/C18H16FN3OS/c1-11-6-7-13(8-14(11)19)20-17(23)12-9-22(10-12)18-21-15-4-2-3-5-16(15)24-18/h2-8,12H,9-10H2,1H3,(H,20,23)
InChIKeySRFBEZNDGSJGBT-UHFFFAOYSA-N
XLogP3.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604030
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128498
1-(1,3-benzothiazol-2-yl)-N-(4-phenoxyphenyl)azetidine-3-carboxamide
CID 90604038
(3S)-N-(3-fluoro-4-methylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117314
1-(1,3-benzothiazol-2-yl)-N-(2-methylsulfanylphenyl)azetidine-3-carboxamide
CID 52908004
1-(1,3-benzothiazol-2-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90610037
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide
CID 121128464
N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128234
N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128456
1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide
CID 90603975
1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 90609323
N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611763

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide (CID 90604056) is 1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide is Cc1ccc(NC(=O)C2CN(c3nc4ccccc4s3)C2)cc1F.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide?
The InChIKey is SRFBEZNDGSJGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-11-6-7-13(8-14(11)19)20-17(23)12-9-22(10-12)18-21-15-4-2-3-5-16(15)24-18/h2-8,12H,9-10H2,1H3,(H,20,23).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 90604056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).