N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C18H16FN5O2S — CID 90489299

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C18H16FN5O2S/c19-10-3-1-5-12-15(10)16(23-22-12)24-8-9(7-14(24)25)17(26)21-18-20-11-4-2-6-13(11)27-18/h1,3,5,9H,2,4,6-8H2,(H,22,23)(H,20,21,26)
InChIKeyXHXLCWDSDGYCNI-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.64
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90489299) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90489299
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C18H16FN5O2S/c19-10-3-1-5-12-15(10)16(23-22-12)24-8-9(7-14(24)25)17(26)21-18-20-11-4-2-6-13(11)27-18/h1,3,5,9H,2,4,6-8H2,(H,22,23)(H,20,21,26)
InChIKeyXHXLCWDSDGYCNI-UHFFFAOYSA-N
XLogP2.64
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 90489299) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1nc2c(s1)CCC2)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XHXLCWDSDGYCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c19-10-3-1-5-12-15(10)16(23-22-12)24-8-9(7-14(24)25)17(26)21-18-20-11-4-2-6-13(11)27-18/h1,3,5,9H,2,4,6-8H2,(H,22,23)(H,20,21,26).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90489299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).