N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide

C15H17FN4O2S — CID 56819872

IUPACN-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(Cc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C15H17FN4O2S/c1-2-12-13(23-20-19-12)15(22)18-8-10(14(17)21)7-9-3-5-11(16)6-4-9/h3-6,10H,2,7-8H2,1H3,(H2,17,21)(H,18,22)
InChIKeyXBOVEVCTHLRUBX-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.31
Rot. Bonds7

About N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide

N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 56819872) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID56819872
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC NameN-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(Cc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C15H17FN4O2S/c1-2-12-13(23-20-19-12)15(22)18-8-10(14(17)21)7-9-3-5-11(16)6-4-9/h3-6,10H,2,7-8H2,1H3,(H2,17,21)(H,18,22)
InChIKeyXBOVEVCTHLRUBX-UHFFFAOYSA-N
XLogP1.31
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide
CID 95136790
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide
CID 95583298
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 56800018
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 95590890
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562693
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 95590873
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 43045040
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 51864652
N-[(4-aminophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205922
2-[(4-fluorophenyl)methyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 56819891
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 95583455
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 47076397

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide (CID 56819872) is N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCC(Cc1ccc(F)cc1)C(N)=O.
What is the InChIKey of N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is XBOVEVCTHLRUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-2-12-13(23-20-19-12)15(22)18-8-10(14(17)21)7-9-3-5-11(16)6-4-9/h3-6,10H,2,7-8H2,1H3,(H2,17,21)(H,18,22).
What are the key properties of N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide?
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 56819872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).