N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C17H13ClFN3OS — CID 121128456

IUPACN-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C17H13ClFN3OS/c18-11-1-4-13(5-2-11)20-16(23)10-8-22(9-10)17-21-14-6-3-12(19)7-15(14)24-17/h1-7,10H,8-9H2,(H,20,23)
InChIKeyXQJFYCYVEKAULY-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.16
Rot. Bonds3

About N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 121128456) has the molecular formula C17H13ClFN3OS and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
PubChem CID121128456
Molecular FormulaC17H13ClFN3OS
Molecular Weight361.83 g/mol
Exact Mass361.05
IUPAC NameN-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C17H13ClFN3OS/c18-11-1-4-13(5-2-11)20-16(23)10-8-22(9-10)17-21-14-6-3-12(19)7-15(14)24-17/h1-7,10H,8-9H2,(H,20,23)
InChIKeyXQJFYCYVEKAULY-UHFFFAOYSA-N
XLogP4.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128498
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-(4-methoxyphenyl)azetidine-3-carboxamide
CID 121128467
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)piperidine-3-carboxamide
CID 90610246
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 90609783
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-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 121128596
N-(6-chloro-3-pyridinyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609907
N-(4-chlorophenyl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128719
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239
N-[(2-chlorophenyl)methyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128419

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 121128456) is N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CN(c2nc3ccc(F)cc3s2)C1.
What is the InChIKey of N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is XQJFYCYVEKAULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3OS/c18-11-1-4-13(5-2-11)20-16(23)10-8-22(9-10)17-21-14-6-3-12(19)7-15(14)24-17/h1-7,10H,8-9H2,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121128456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).