N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C19H18FN3O2S — CID 71800303

IUPACN-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCOc1cccc2sc(N3CC(C(=O)NCc4ccccc4F)C3)nc12
InChIInChI=1S/C19H18FN3O2S/c1-25-15-7-4-8-16-17(15)22-19(26-16)23-10-13(11-23)18(24)21-9-12-5-2-3-6-14(12)20/h2-8,13H,9-11H2,1H3,(H,21,24)
InChIKeyPFNDGODMBIWVTD-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.20
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 71800303) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
PubChem CID71800303
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCOc1cccc2sc(N3CC(C(=O)NCc4ccccc4F)C3)nc12
InChIInChI=1S/C19H18FN3O2S/c1-25-15-7-4-8-16-17(15)22-19(26-16)23-10-13(11-23)18(24)21-9-12-5-2-3-6-14(12)20/h2-8,13H,9-11H2,1H3,(H,21,24)
InChIKeyPFNDGODMBIWVTD-UHFFFAOYSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121127878
N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604200
1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)azetidine-3-carboxamide
CID 121127887
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[(3-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 90604509
1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide
CID 121128067
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 90604422
N-cyclopentyl-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 71800294
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide
CID 90604428
1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 121128025
N-[(2,4-difluorophenyl)methyl]-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610569
1-(1,3-benzothiazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
CID 90604133
1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-oxothiolan-3-yl)azetidine-3-carboxamide
CID 121128046

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 71800303) is N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is COc1cccc2sc(N3CC(C(=O)NCc4ccccc4F)C3)nc12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is PFNDGODMBIWVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-25-15-7-4-8-16-17(15)22-19(26-16)23-10-13(11-23)18(24)21-9-12-5-2-3-6-14(12)20/h2-8,13H,9-11H2,1H3,(H,21,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 71800303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).