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

C14H15F2N3OS2 — CID 175650065

IUPACN-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCSc1cccc2sc(N3CC(C(=O)NCC(F)F)C3)nc12
InChIInChI=1S/C14H15F2N3OS2/c1-21-9-3-2-4-10-12(9)18-14(22-10)19-6-8(7-19)13(20)17-5-11(15)16/h2-4,8,11H,5-7H2,1H3,(H,17,20)
InChIKeyOPYQTQZETIWFNJ-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.84
Rot. Bonds5

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

N-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 175650065) has the molecular formula C14H15F2N3OS2 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
PubChem CID175650065
Molecular FormulaC14H15F2N3OS2
Molecular Weight343.42 g/mol
Exact Mass343.06
IUPAC NameN-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCSc1cccc2sc(N3CC(C(=O)NCC(F)F)C3)nc12
InChIInChI=1S/C14H15F2N3OS2/c1-21-9-3-2-4-10-12(9)18-14(22-10)19-6-8(7-19)13(20)17-5-11(15)16/h2-4,8,11H,5-7H2,1H3,(H,17,20)
InChIKeyOPYQTQZETIWFNJ-UHFFFAOYSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 90604422
N-ethyl-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121127878
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide
CID 90604428
N-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 71800303
N-cyclopropyl-1-(4-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 56724519
1-(1,3-benzothiazol-2-yl)-N-(2-methylsulfanylphenyl)azetidine-3-carboxamide
CID 52908004
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-fluoro-1,3-benzothiazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]azetidine-3-carboxamide
CID 90604534
N-methoxy-1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidine-3-carboxamide
CID 71786180
[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 121083355
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide
CID 90604576

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 175650065) is N-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is CSc1cccc2sc(N3CC(C(=O)NCC(F)F)C3)nc12.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is OPYQTQZETIWFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3OS2/c1-21-9-3-2-4-10-12(9)18-14(22-10)19-6-8(7-19)13(20)17-5-11(15)16/h2-4,8,11H,5-7H2,1H3,(H,17,20).
What are the key properties of N-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
N-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 175650065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).