N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide

C21H21N3O4S2 — CID 90530772

IUPACN-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C21H21N3O4S2/c25-20(13-28-16-6-5-14-3-1-2-4-15(14)11-16)23-21-22-18-9-10-24(12-19(18)29-21)30(26,27)17-7-8-17/h1-6,11,17H,7-10,12-13H2,(H,22,23,25)
InChIKeyQWFVOIBZZAIXMT-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.16
Rot. Bonds6

About N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide

N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide (PubChem CID 90530772) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide
PubChem CID90530772
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC NameN-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C21H21N3O4S2/c25-20(13-28-16-6-5-14-3-1-2-4-15(14)11-16)23-21-22-18-9-10-24(12-19(18)29-21)30(26,27)17-7-8-17/h1-6,11,17H,7-10,12-13H2,(H,22,23,25)
InChIKeyQWFVOIBZZAIXMT-UHFFFAOYSA-N
XLogP3.16
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-naphthalen-2-yloxyacetamide
CID 90533018
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-chlorophenoxy)acetamide
CID 20975120
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90530710
N-[5-(2-naphthalen-2-yloxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525107
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 90530823
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90530716
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-methylphenoxy)acetamide
CID 51172739
1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea
CID 90530843
N-(5-naphthalen-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide
CID 90528682
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide
CID 108749961
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 71788210
2-(3-ethylphenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 51172807

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide (CID 90530772) is N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2.
What is the InChIKey of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is QWFVOIBZZAIXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c25-20(13-28-16-6-5-14-3-1-2-4-15(14)11-16)23-21-22-18-9-10-24(12-19(18)29-21)30(26,27)17-7-8-17/h1-6,11,17H,7-10,12-13H2,(H,22,23,25).
What are the key properties of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide?
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 443.55 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 90530772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).