N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide

C23H24BrN3OS2 — CID 2390710

IUPACN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c(C)cc1Br
InChIInChI=1S/C23H24BrN3OS2/c1-15-11-20(16(2)10-18(15)24)29-14-22(28)26-23-25-19-8-9-27(13-21(19)30-23)12-17-6-4-3-5-7-17/h3-7,10-11H,8-9,12-14H2,1-2H3,(H,25,26,28)
InChIKeyWGFCXANFVZOQBO-UHFFFAOYSA-N
MW502.50 g/mol
LogP5.81
Rot. Bonds6

About N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide (PubChem CID 2390710) has the molecular formula C23H24BrN3OS2 and a molecular weight of 502.50 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
PubChem CID2390710
Molecular FormulaC23H24BrN3OS2
Molecular Weight502.50 g/mol
Exact Mass501.05
IUPAC NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c(C)cc1Br
InChIInChI=1S/C23H24BrN3OS2/c1-15-11-20(16(2)10-18(15)24)29-14-22(28)26-23-25-19-8-9-27(13-21(19)30-23)12-17-6-4-3-5-7-17/h3-7,10-11H,8-9,12-14H2,1-2H3,(H,25,26,28)
InChIKeyWGFCXANFVZOQBO-UHFFFAOYSA-N
XLogP5.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.50
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 112794428
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
CID 44827183
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 17453392
3-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 119828628
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide
CID 2388197
N-[2-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 17437177
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4-dimethylbenzamide
CID 42153991
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8850262
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylpentanamide
CID 18291151
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methylpyrazine-2-carboxamide
CID 18074462
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 31867617
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-bromopyridine-3-carboxamide
CID 17390840

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide (CID 2390710) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c(C)cc1Br.
What is the InChIKey of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is WGFCXANFVZOQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3OS2/c1-15-11-20(16(2)10-18(15)24)29-14-22(28)26-23-25-19-8-9-27(13-21(19)30-23)12-17-6-4-3-5-7-17/h3-7,10-11H,8-9,12-14H2,1-2H3,(H,25,26,28).
What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide?
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide has a molecular weight of 502.50 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 2390710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).