2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide

C18H17FN4O3S2 — CID 21051283

IUPAC2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3ccncc3F)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C18H17FN4O3S2/c1-11-17(28(20,25)26)27-18(22-11)23(2)16(24)9-12-3-5-13(6-4-12)14-7-8-21-10-15(14)19/h3-8,10H,9H2,1-2H3,(H2,20,25,26)
InChIKeyZKQKQYZSZLQDNS-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.51
Rot. Bonds5

About 2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide

2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide (PubChem CID 21051283) has the molecular formula C18H17FN4O3S2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
PubChem CID21051283
Molecular FormulaC18H17FN4O3S2
Molecular Weight420.49 g/mol
Exact Mass420.07
IUPAC Name2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3ccncc3F)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C18H17FN4O3S2/c1-11-17(28(20,25)26)27-18(22-11)23(2)16(24)9-12-3-5-13(6-4-12)14-7-8-21-10-15(14)19/h3-8,10H,9H2,1-2H3,(H2,20,25,26)
InChIKeyZKQKQYZSZLQDNS-UHFFFAOYSA-N
XLogP2.51
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-(Aminosulfonyl)-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-(4-(2-pyridinyl)phenyl)acetamide
CID 491941
N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide
CID 123372490
N-methyl-N-(4-methyl-5-sulfamoyl-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 504304
2-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660463
2-(3-fluorophenyl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide
CID 8123789
2-(2-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 8123825
4-fluoro-N-methyl-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661408
4-fluoro-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
CID 16661726
N-ethyl-4-fluoro-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661728
4-fluoro-N-propyl-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661729
2-(4-fluorophenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 18581471
5Ljk37NK4E
CID 21051363

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide (CID 21051283) is 2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide is Cc1nc(N(C)C(=O)Cc2ccc(-c3ccncc3F)cc2)sc1S(N)(=O)=O.
What is the InChIKey of 2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZKQKQYZSZLQDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S2/c1-11-17(28(20,25)26)27-18(22-11)23(2)16(24)9-12-3-5-13(6-4-12)14-7-8-21-10-15(14)19/h3-8,10H,9H2,1-2H3,(H2,20,25,26).
What are the key properties of 2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 420.49 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 21051283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).