N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

C19H20FN5O3S2 — CID 90532558

IUPACN-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCCS(=O)(=O)N1CCc2nc(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)sc2C1
InChIInChI=1S/C19H20FN5O3S2/c1-3-30(27,28)25-9-8-14-17(11-25)29-19(21-14)22-18(26)16-10-15(23-24(16)2)12-4-6-13(20)7-5-12/h4-7,10H,3,8-9,11H2,1-2H3,(H,21,22,26)
InChIKeyABFDEEBEQFHORZ-UHFFFAOYSA-N
MW449.53 g/mol
LogP2.64
Rot. Bonds5

About N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 90532558) has the molecular formula C19H20FN5O3S2 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID90532558
Molecular FormulaC19H20FN5O3S2
Molecular Weight449.53 g/mol
Exact Mass449.10
IUPAC NameN-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCCS(=O)(=O)N1CCc2nc(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)sc2C1
InChIInChI=1S/C19H20FN5O3S2/c1-3-30(27,28)25-9-8-14-17(11-25)29-19(21-14)22-18(26)16-10-15(23-24(16)2)12-4-6-13(20)7-5-12/h4-7,10H,3,8-9,11H2,1-2H3,(H,21,22,26)
InChIKeyABFDEEBEQFHORZ-UHFFFAOYSA-N
XLogP2.64
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 90532558) is N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is CCS(=O)(=O)N1CCc2nc(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)sc2C1.
What is the InChIKey of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is ABFDEEBEQFHORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S2/c1-3-30(27,28)25-9-8-14-17(11-25)29-19(21-14)22-18(26)16-10-15(23-24(16)2)12-4-6-13(20)7-5-12/h4-7,10H,3,8-9,11H2,1-2H3,(H,21,22,26).
What are the key properties of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90532558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).