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

C21H19ClFN3O3S2 — CID 50832475

IUPAC2-(2-chloro-6-fluorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)Cc4c(F)cccc4Cl)sc3C2)cc1
InChIInChI=1S/C21H19ClFN3O3S2/c1-13-5-7-14(8-6-13)31(28,29)26-10-9-18-19(12-26)30-21(24-18)25-20(27)11-15-16(22)3-2-4-17(15)23/h2-8H,9-12H2,1H3,(H,24,25,27)
InChIKeyPPDDXJKOZBBRGB-UHFFFAOYSA-N
MW479.99 g/mol
LogP4.17
Rot. Bonds5

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

2-(2-chloro-6-fluorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (PubChem CID 50832475) has the molecular formula C21H19ClFN3O3S2 and a molecular weight of 479.99 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
PubChem CID50832475
Molecular FormulaC21H19ClFN3O3S2
Molecular Weight479.99 g/mol
Exact Mass479.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)Cc4c(F)cccc4Cl)sc3C2)cc1
InChIInChI=1S/C21H19ClFN3O3S2/c1-13-5-7-14(8-6-13)31(28,29)26-10-9-18-19(12-26)30-21(24-18)25-20(27)11-15-16(22)3-2-4-17(15)23/h2-8H,9-12H2,1H3,(H,24,25,27)
InChIKeyPPDDXJKOZBBRGB-UHFFFAOYSA-N
XLogP4.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[5-(3-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 50832368
2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 50832384
methyl N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529167
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide
CID 50832388
N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylmethoxyacetamide
CID 50832426
2-chloro-6-fluoro-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 71788247
ethyl N-[5-(4-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528184
2-(2,6-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 29412832
(2R)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylbutanamide
CID 92726906
N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 50832404
N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
CID 50832532
ethyl N-[5-(2,6-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528219

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The IUPAC name of 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) is 2-(2-chloro-6-fluorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)Cc4c(F)cccc4Cl)sc3C2)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The InChIKey is PPDDXJKOZBBRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O3S2/c1-13-5-7-14(8-6-13)31(28,29)26-10-9-18-19(12-26)30-21(24-18)25-20(27)11-15-16(22)3-2-4-17(15)23/h2-8H,9-12H2,1H3,(H,24,25,27).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide has a molecular weight of 479.99 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 50832475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).