1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide

C18H19N3OS2 — CID 121128329

IUPAC1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide
SMILESCc1ccc2nc(N3CC(C(=O)NCCc4cccs4)C3)sc2c1
InChIInChI=1S/C18H19N3OS2/c1-12-4-5-15-16(9-12)24-18(20-15)21-10-13(11-21)17(22)19-7-6-14-3-2-8-23-14/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,19,22)
InChIKeyJGRSLTOYAYFVMR-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.46
Rot. Bonds5

About 1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide

1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide (PubChem CID 121128329) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide
PubChem CID121128329
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC Name1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide
SMILESCc1ccc2nc(N3CC(C(=O)NCCc4cccs4)C3)sc2c1
InChIInChI=1S/C18H19N3OS2/c1-12-4-5-15-16(9-12)24-18(20-15)21-10-13(11-21)17(22)19-7-6-14-3-2-8-23-14/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,19,22)
InChIKeyJGRSLTOYAYFVMR-UHFFFAOYSA-N
XLogP3.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methyl-1,3-benzothiazol-2-yl)-N-pentylazetidine-3-carboxamide
CID 121128178
N-(3-methoxypropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128147
1-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide
CID 121128067
1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 90611407
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 90604215
N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611269
1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide
CID 90603975
N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611356
1-(6-methyl-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide
CID 121128341
N-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128303
N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128234
N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611714

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide?
The IUPAC name of 1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide (CID 121128329) is 1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide is Cc1ccc2nc(N3CC(C(=O)NCCc4cccs4)C3)sc2c1.
What is the InChIKey of 1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide?
The InChIKey is JGRSLTOYAYFVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-12-4-5-15-16(9-12)24-18(20-15)21-10-13(11-21)17(22)19-7-6-14-3-2-8-23-14/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,19,22).
What are the key properties of 1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide?
1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide is sourced from PubChem (CID 121128329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).