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

C21H19ClFN3O4S2 — CID 50832368

IUPAC2-(2-chloro-6-fluorophenyl)-N-[5-(3-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCOc1cccc(S(=O)(=O)N2CCc3nc(NC(=O)Cc4c(F)cccc4Cl)sc3C2)c1
InChIInChI=1S/C21H19ClFN3O4S2/c1-30-13-4-2-5-14(10-13)32(28,29)26-9-8-18-19(12-26)31-21(24-18)25-20(27)11-15-16(22)6-3-7-17(15)23/h2-7,10H,8-9,11-12H2,1H3,(H,24,25,27)
InChIKeyMBAKIZHMLZIUDB-UHFFFAOYSA-N
MW495.99 g/mol
LogP3.87
Rot. Bonds6

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

2-(2-chloro-6-fluorophenyl)-N-[5-(3-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (PubChem CID 50832368) has the molecular formula C21H19ClFN3O4S2 and a molecular weight of 495.99 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[5-(3-methoxyphenyl)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-(3-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
PubChem CID50832368
Molecular FormulaC21H19ClFN3O4S2
Molecular Weight495.99 g/mol
Exact Mass495.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[5-(3-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCOc1cccc(S(=O)(=O)N2CCc3nc(NC(=O)Cc4c(F)cccc4Cl)sc3C2)c1
InChIInChI=1S/C21H19ClFN3O4S2/c1-30-13-4-2-5-14(10-13)32(28,29)26-9-8-18-19(12-26)31-21(24-18)25-20(27)11-15-16(22)6-3-7-17(15)23/h2-7,10H,8-9,11-12H2,1H3,(H,24,25,27)
InChIKeyMBAKIZHMLZIUDB-UHFFFAOYSA-N
XLogP3.87
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532812
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-chlorophenoxy)acetamide
CID 20975120
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide
CID 90532486
2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 50832384
2-chloro-6-fluoro-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 71788247
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(2-methylphenyl)acetamide
CID 50832388
2-(2,6-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 29412832
2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2085098
1-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3-methoxyphenyl)urea
CID 90532581
N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylbenzamide
CID 50832606
1-[5-(3-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90530211

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[5-(3-methoxyphenyl)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-(3-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (CID 50832368) is 2-(2-chloro-6-fluorophenyl)-N-[5-(3-methoxyphenyl)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-(3-methoxyphenyl)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-(3-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is COc1cccc(S(=O)(=O)N2CCc3nc(NC(=O)Cc4c(F)cccc4Cl)sc3C2)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[5-(3-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The InChIKey is MBAKIZHMLZIUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O4S2/c1-30-13-4-2-5-14(10-13)32(28,29)26-9-8-18-19(12-26)31-21(24-18)25-20(27)11-15-16(22)6-3-7-17(15)23/h2-7,10H,8-9,11-12H2,1H3,(H,24,25,27).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[5-(3-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[5-(3-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide has a molecular weight of 495.99 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[5-(3-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 50832368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).