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

C21H21N3O3S2 — CID 50832388

IUPACN-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C21H21N3O3S2/c1-15-7-5-6-8-16(15)13-20(25)23-21-22-18-11-12-24(14-19(18)28-21)29(26,27)17-9-3-2-4-10-17/h2-10H,11-14H2,1H3,(H,22,23,25)
InChIKeyXCBOMAXEPUUGDF-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.38
Rot. Bonds5

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

N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide (PubChem CID 50832388) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide
PubChem CID50832388
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC NameN-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C21H21N3O3S2/c1-15-7-5-6-8-16(15)13-20(25)23-21-22-18-11-12-24(14-19(18)28-21)29(26,27)17-9-3-2-4-10-17/h2-10H,11-14H2,1H3,(H,22,23,25)
InChIKeyXCBOMAXEPUUGDF-UHFFFAOYSA-N
XLogP3.38
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide
CID 50832495
2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 50832384
N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylmethoxyacetamide
CID 50832426
2-phenyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532758
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-chlorophenoxy)acetamide
CID 20975120
(2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide
CID 92726906
2-(2-chloro-6-fluorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 50832475
2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 6466381
3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 90532543
methyl N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529167
N-[5-(4-ethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525428
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 50832441

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide (CID 50832388) is N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide?
The InChIKey is XCBOMAXEPUUGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c1-15-7-5-6-8-16(15)13-20(25)23-21-22-18-11-12-24(14-19(18)28-21)29(26,27)17-9-3-2-4-10-17/h2-10H,11-14H2,1H3,(H,22,23,25).
What are the key properties of N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide?
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide has a molecular weight of 427.55 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 50832388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).