N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C18H15Cl2N3OS — CID 121128234

IUPACN-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCc1ccc2nc(N3CC(C(=O)Nc4ccc(Cl)c(Cl)c4)C3)sc2c1
InChIInChI=1S/C18H15Cl2N3OS/c1-10-2-5-15-16(6-10)25-18(22-15)23-8-11(9-23)17(24)21-12-3-4-13(19)14(20)7-12/h2-7,11H,8-9H2,1H3,(H,21,24)
InChIKeyYRPGNAPEUMUGEN-UHFFFAOYSA-N
MW392.31 g/mol
LogP4.99
Rot. Bonds3

About N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 121128234) has the molecular formula C18H15Cl2N3OS and a molecular weight of 392.31 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
PubChem CID121128234
Molecular FormulaC18H15Cl2N3OS
Molecular Weight392.31 g/mol
Exact Mass391.03
IUPAC NameN-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCc1ccc2nc(N3CC(C(=O)Nc4ccc(Cl)c(Cl)c4)C3)sc2c1
InChIInChI=1S/C18H15Cl2N3OS/c1-10-2-5-15-16(6-10)25-18(22-15)23-8-11(9-23)17(24)21-12-3-4-13(19)14(20)7-12/h2-7,11H,8-9H2,1H3,(H,21,24)
InChIKeyYRPGNAPEUMUGEN-UHFFFAOYSA-N
XLogP4.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128332
N-(3-chloro-4-methoxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611359
N-(4-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128456
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239
N-(3,4-difluorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611763
butyl 4-[[1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carbonyl]amino]benzoate
CID 121128218
1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2,3,4-trifluorophenyl)azetidine-3-carboxamide
CID 121128280
N-(4-bromo-3-methylphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611787
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128498
N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604030
1-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90604056
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)azetidine-3-carboxamide
CID 121128464

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 121128234) is N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is Cc1ccc2nc(N3CC(C(=O)Nc4ccc(Cl)c(Cl)c4)C3)sc2c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is YRPGNAPEUMUGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS/c1-10-2-5-15-16(6-10)25-18(22-15)23-8-11(9-23)17(24)21-12-3-4-13(19)14(20)7-12/h2-7,11H,8-9H2,1H3,(H,21,24).
What are the key properties of N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 392.31 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121128234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).