3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide

C19H23N3OS — CID 166623393

IUPAC3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide
SMILESO=C(NCCc1nc2c(s1)CCC2)C1(Cc2ccccc2)CNC1
InChIInChI=1S/C19H23N3OS/c23-18(19(12-20-13-19)11-14-5-2-1-3-6-14)21-10-9-17-22-15-7-4-8-16(15)24-17/h1-3,5-6,20H,4,7-13H2,(H,21,23)
InChIKeyUPXZZSXCMKLIJL-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.12
Rot. Bonds6

About 3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide

3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide (PubChem CID 166623393) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide
PubChem CID166623393
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide
SMILESO=C(NCCc1nc2c(s1)CCC2)C1(Cc2ccccc2)CNC1
InChIInChI=1S/C19H23N3OS/c23-18(19(12-20-13-19)11-14-5-2-1-3-6-14)21-10-9-17-22-15-7-4-8-16(15)24-17/h1-3,5-6,20H,4,7-13H2,(H,21,23)
InChIKeyUPXZZSXCMKLIJL-UHFFFAOYSA-N
XLogP2.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-N-[2-(4-hydroxyphenyl)ethyl]azetidine-3-carboxamide
CID 166615999
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110461158
2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 51132681
(2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide
CID 155508548
1-benzyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 56522219
2-chloro-N-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 146103293
3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide
CID 166613539
trans-(1S,2S)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610049
trans-(1R,2R)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610050
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154910811
2-(1,3-benzodioxol-5-yl)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 91769312
3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide
CID 166618484

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide?
The IUPAC name of 3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide (CID 166623393) is 3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for 3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for 3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide is O=C(NCCc1nc2c(s1)CCC2)C1(Cc2ccccc2)CNC1.
What is the InChIKey of 3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide?
The InChIKey is UPXZZSXCMKLIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c23-18(19(12-20-13-19)11-14-5-2-1-3-6-14)21-10-9-17-22-15-7-4-8-16(15)24-17/h1-3,5-6,20H,4,7-13H2,(H,21,23).
What are the key properties of 3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide?
3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 166623393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).