N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide

C17H19FN4O2S2 — CID 71802140

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCc1cc(C)n(-c2nc(CCNS(=O)(=O)Cc3cccc(F)c3)cs2)n1
InChIInChI=1S/C17H19FN4O2S2/c1-12-8-13(2)22(21-12)17-20-16(10-25-17)6-7-19-26(23,24)11-14-4-3-5-15(18)9-14/h3-5,8-10,19H,6-7,11H2,1-2H3
InChIKeyYGHAEFKEZWHWEC-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.75
Rot. Bonds7

About N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 71802140) has the molecular formula C17H19FN4O2S2 and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide
PubChem CID71802140
Molecular FormulaC17H19FN4O2S2
Molecular Weight394.50 g/mol
Exact Mass394.09
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCc1cc(C)n(-c2nc(CCNS(=O)(=O)Cc3cccc(F)c3)cs2)n1
InChIInChI=1S/C17H19FN4O2S2/c1-12-8-13(2)22(21-12)17-20-16(10-25-17)6-7-19-26(23,24)11-14-4-3-5-15(18)9-14/h3-5,8-10,19H,6-7,11H2,1-2H3
InChIKeyYGHAEFKEZWHWEC-UHFFFAOYSA-N
XLogP2.75
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide (CID 71802140) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide is Cc1cc(C)n(-c2nc(CCNS(=O)(=O)Cc3cccc(F)c3)cs2)n1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is YGHAEFKEZWHWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S2/c1-12-8-13(2)22(21-12)17-20-16(10-25-17)6-7-19-26(23,24)11-14-4-3-5-15(18)9-14/h3-5,8-10,19H,6-7,11H2,1-2H3.
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 71802140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).