N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide

C17H21FN4O2S — CID 102556139

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C17H21FN4O2S/c1-4-14-16(25-21-20-14)17(23)19-12-5-6-15(13(18)7-12)22-8-10(2)24-11(3)9-22/h5-7,10-11H,4,8-9H2,1-3H3,(H,19,23)
InChIKeyLMCKANNNFFMPLB-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.11
Rot. Bonds4

About N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide

N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 102556139) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID102556139
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C17H21FN4O2S/c1-4-14-16(25-21-20-14)17(23)19-12-5-6-15(13(18)7-12)22-8-10(2)24-11(3)9-22/h5-7,10-11H,4,8-9H2,1-3H3,(H,19,23)
InChIKeyLMCKANNNFFMPLB-UHFFFAOYSA-N
XLogP3.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide (CID 102556139) is N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ccc(N2CC(C)OC(C)C2)c(F)c1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is LMCKANNNFFMPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-4-14-16(25-21-20-14)17(23)19-12-5-6-15(13(18)7-12)22-8-10(2)24-11(3)9-22/h5-7,10-11H,4,8-9H2,1-3H3,(H,19,23).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide?
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 102556139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).