N-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C18H15ClFN3OS — CID 121128419

IUPACN-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C18H15ClFN3OS/c19-14-4-2-1-3-11(14)8-21-17(24)12-9-23(10-12)18-22-15-6-5-13(20)7-16(15)25-18/h1-7,12H,8-10H2,(H,21,24)
InChIKeyMJPDTASFRKCFHM-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.84
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 121128419) has the molecular formula C18H15ClFN3OS and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
PubChem CID121128419
Molecular FormulaC18H15ClFN3OS
Molecular Weight375.86 g/mol
Exact Mass375.06
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C18H15ClFN3OS/c19-14-4-2-1-3-11(14)8-21-17(24)12-9-23(10-12)18-22-15-6-5-13(20)7-16(15)25-18/h1-7,12H,8-10H2,(H,21,24)
InChIKeyMJPDTASFRKCFHM-UHFFFAOYSA-N
XLogP3.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide
CID 121128604
N-[(2-fluorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604200
1-(6-methyl-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide
CID 121128341
N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128456
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide
CID 121128436
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide
CID 121128464
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide
CID 121128463
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128498
1-(6-chloro-1,3-benzothiazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 4609437
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 121128596
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 121128467
[1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] 2-(4-chlorophenyl)acetate
CID 90606614

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 121128419) is N-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is O=C(NCc1ccccc1Cl)C1CN(c2nc3ccc(F)cc3s2)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is MJPDTASFRKCFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3OS/c19-14-4-2-1-3-11(14)8-21-17(24)12-9-23(10-12)18-22-15-6-5-13(20)7-16(15)25-18/h1-7,12H,8-10H2,(H,21,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121128419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).