N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C16H15FN6O2S — CID 90489287

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)s1
InChIInChI=1S/C16H15FN6O2S/c1-2-11-20-22-16(26-11)18-15(25)8-6-12(24)23(7-8)14-13-9(17)4-3-5-10(13)19-21-14/h3-5,8H,2,6-7H2,1H3,(H,19,21)(H,18,22,25)
InChIKeyBSLSUEYNTYICHI-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.11
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90489287) has the molecular formula C16H15FN6O2S and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90489287
Molecular FormulaC16H15FN6O2S
Molecular Weight374.40 g/mol
Exact Mass374.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)s1
InChIInChI=1S/C16H15FN6O2S/c1-2-11-20-22-16(26-11)18-15(25)8-6-12(24)23(7-8)14-13-9(17)4-3-5-10(13)19-21-14/h3-5,8H,2,6-7H2,1H3,(H,19,21)(H,18,22,25)
InChIKeyBSLSUEYNTYICHI-UHFFFAOYSA-N
XLogP2.11
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 1400342
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CID 1625788
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CID 71706548
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CID 75465608
CID 75465608
CID 90489262
CID 90489262
CID 90489266
CID 90489266
CID 90489268
CID 90489268
CID 90489272
CID 90489272
CID 90489273
CID 90489273
CID 90489279
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CID 90489294
CID 90489294

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 90489287) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is CCc1nnc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BSLSUEYNTYICHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O2S/c1-2-11-20-22-16(26-11)18-15(25)8-6-12(24)23(7-8)14-13-9(17)4-3-5-10(13)19-21-14/h3-5,8H,2,6-7H2,1H3,(H,19,21)(H,18,22,25).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90489287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).