N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide

C22H20ClN3O3S — CID 108749946

IUPACN-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2nc3c(s2)CN(C(=O)c2ccccc2)CC3)ccc1Cl
InChIInChI=1S/C22H20ClN3O3S/c1-14-11-16(7-8-17(14)23)29-13-20(27)25-22-24-18-9-10-26(12-19(18)30-22)21(28)15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,24,25,27)
InChIKeyPESNUKPUSPAMBY-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.32
Rot. Bonds5

About N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide

N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide (PubChem CID 108749946) has the molecular formula C22H20ClN3O3S and a molecular weight of 441.94 g/mol. Its IUPAC name is N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide
PubChem CID108749946
Molecular FormulaC22H20ClN3O3S
Molecular Weight441.94 g/mol
Exact Mass441.09
IUPAC NameN-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2nc3c(s2)CN(C(=O)c2ccccc2)CC3)ccc1Cl
InChIInChI=1S/C22H20ClN3O3S/c1-14-11-16(7-8-17(14)23)29-13-20(27)25-22-24-18-9-10-26(12-19(18)30-22)21(28)15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,24,25,27)
InChIKeyPESNUKPUSPAMBY-UHFFFAOYSA-N
XLogP4.32
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-chlorophenoxy)propanamide
CID 108725724
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-methoxyethoxy)acetamide
CID 108725696
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-chlorophenoxy)butanamide
CID 108749966
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide
CID 108749961
2-(3,4-dimethylphenoxy)-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 108749829
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 108725674
2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 16547135
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,3-diphenylpropanamide
CID 108725786
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-methylpropoxy)benzamide
CID 108725654
(E)-N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 108749929
N-[5-(4-ethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525054
N-[5-(2-naphthalen-2-yloxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525107

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide?
The IUPAC name of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide (CID 108749946) is N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide.
What is the SMILES notation for N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide?
The canonical SMILES for N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2nc3c(s2)CN(C(=O)c2ccccc2)CC3)ccc1Cl.
What is the InChIKey of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide?
The InChIKey is PESNUKPUSPAMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3S/c1-14-11-16(7-8-17(14)23)29-13-20(27)25-22-24-18-9-10-26(12-19(18)30-22)21(28)15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,24,25,27).
What are the key properties of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide?
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide has a molecular weight of 441.94 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide is sourced from PubChem (CID 108749946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).