4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide

C18H18FN5O2S — CID 136907963

IUPAC4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(Cc1cc(=O)[nH]c(C)n1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN5O2S/c1-3-14-17(27-24-23-14)18(26)22-15(11-4-6-12(19)7-5-11)8-13-9-16(25)21-10(2)20-13/h4-7,9,15H,3,8H2,1-2H3,(H,22,26)(H,20,21,25)
InChIKeyMPFLHYHBANXEOP-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.35
Rot. Bonds6

About 4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide

4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide (PubChem CID 136907963) has the molecular formula C18H18FN5O2S and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide
PubChem CID136907963
Molecular FormulaC18H18FN5O2S
Molecular Weight387.44 g/mol
Exact Mass387.12
IUPAC Name4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(Cc1cc(=O)[nH]c(C)n1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN5O2S/c1-3-14-17(27-24-23-14)18(26)22-15(11-4-6-12(19)7-5-11)8-13-9-16(25)21-10(2)20-13/h4-7,9,15H,3,8H2,1-2H3,(H,22,26)(H,20,21,25)
InChIKeyMPFLHYHBANXEOP-UHFFFAOYSA-N
XLogP2.35
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide
CID 136816281
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]isoquinoline-1-carboxamide
CID 136816284
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 136816288
5-tert-butyl-N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 136763798
3-ethyl-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 136734955
N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide
CID 96996379
2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
CID 136816308
2-(benzotriazol-1-yl)-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136816285
N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-(2-methylindol-1-yl)propanamide
CID 136860537
N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 136858700
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide
CID 136816292
N-[(1R)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide
CID 136850437

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide (CID 136907963) is 4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC(Cc1cc(=O)[nH]c(C)n1)c1ccc(F)cc1.
What is the InChIKey of 4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is MPFLHYHBANXEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2S/c1-3-14-17(27-24-23-14)18(26)22-15(11-4-6-12(19)7-5-11)8-13-9-16(25)21-10(2)20-13/h4-7,9,15H,3,8H2,1-2H3,(H,22,26)(H,20,21,25).
What are the key properties of 4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide?
4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 136907963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).