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

C22H27N3OS — CID 121128303

IUPACN-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCc1ccc2nc(N3CC(C(=O)NC45CC6CC(CC(C6)C4)C5)C3)sc2c1
InChIInChI=1S/C22H27N3OS/c1-13-2-3-18-19(4-13)27-21(23-18)25-11-17(12-25)20(26)24-22-8-14-5-15(9-22)7-16(6-14)10-22/h2-4,14-17H,5-12H2,1H3,(H,24,26)
InChIKeySYFAZLARZCWOAO-UHFFFAOYSA-N
MW381.55 g/mol
LogP4.13
Rot. Bonds3

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

N-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 121128303) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
PubChem CID121128303
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC NameN-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCc1ccc2nc(N3CC(C(=O)NC45CC6CC(CC(C6)C4)C5)C3)sc2c1
InChIInChI=1S/C22H27N3OS/c1-13-2-3-18-19(4-13)27-21(23-18)25-11-17(12-25)20(26)24-22-8-14-5-15(9-22)7-16(6-14)10-22/h2-4,14-17H,5-12H2,1H3,(H,24,26)
InChIKeySYFAZLARZCWOAO-UHFFFAOYSA-N
XLogP4.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128234
1-(6-methyl-1,3-benzothiazol-2-yl)-N-pentylazetidine-3-carboxamide
CID 121128178
1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2,3,4-trifluorophenyl)azetidine-3-carboxamide
CID 121128280
N-(3-methoxypropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128147
N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128332
1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide
CID 121128329
N-(2,5-dimethylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604262
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128318
N-(1-benzylpiperidin-4-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 71800308
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 90611653
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-(trifluoromethoxy)phenyl]methyl]azetidine-3-carboxamide
CID 121128341

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 121128303) is N-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is Cc1ccc2nc(N3CC(C(=O)NC45CC6CC(CC(C6)C4)C5)C3)sc2c1.
What is the InChIKey of N-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is SYFAZLARZCWOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-13-2-3-18-19(4-13)27-21(23-18)25-11-17(12-25)20(26)24-22-8-14-5-15(9-22)7-16(6-14)10-22/h2-4,14-17H,5-12H2,1H3,(H,24,26).
What are the key properties of N-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
N-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 381.55 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121128303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).