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

C17H16FN5O3S2 — CID 71788238

IUPAC3-(4-fluorophenyl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2nc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)sc2C1
InChIInChI=1S/C17H16FN5O3S2/c1-28(25,26)23-7-6-12-15(9-23)27-17(19-12)20-16(24)14-8-13(21-22-14)10-2-4-11(18)5-3-10/h2-5,8H,6-7,9H2,1H3,(H,21,22)(H,19,20,24)
InChIKeyUQJJYQXVICQIFR-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.24
Rot. Bonds4

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

3-(4-fluorophenyl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 71788238) has the molecular formula C17H16FN5O3S2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID71788238
Molecular FormulaC17H16FN5O3S2
Molecular Weight421.48 g/mol
Exact Mass421.07
IUPAC Name3-(4-fluorophenyl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2nc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)sc2C1
InChIInChI=1S/C17H16FN5O3S2/c1-28(25,26)23-7-6-12-15(9-23)27-17(19-12)20-16(24)14-8-13(21-22-14)10-2-4-11(18)5-3-10/h2-5,8H,6-7,9H2,1H3,(H,21,22)(H,19,20,24)
InChIKeyUQJJYQXVICQIFR-UHFFFAOYSA-N
XLogP2.24
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide (CID 71788238) is 3-(4-fluorophenyl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide is CS(=O)(=O)N1CCc2nc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)sc2C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is UQJJYQXVICQIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3S2/c1-28(25,26)23-7-6-12-15(9-23)27-17(19-12)20-16(24)14-8-13(21-22-14)10-2-4-11(18)5-3-10/h2-5,8H,6-7,9H2,1H3,(H,21,22)(H,19,20,24).
What are the key properties of 3-(4-fluorophenyl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71788238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).