1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide

C19H16FN3OS — CID 55984171

IUPAC1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C19H16FN3OS/c20-15-6-4-14(5-7-15)19(10-1-11-19)18(24)21-16-8-2-13(3-9-16)17-12-25-23-22-17/h2-9,12H,1,10-11H2,(H,21,24)
InChIKeyPOGFWMNQSSHZTL-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.40
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide (PubChem CID 55984171) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide
PubChem CID55984171
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C19H16FN3OS/c20-15-6-4-14(5-7-15)19(10-1-11-19)18(24)21-16-8-2-13(3-9-16)17-12-25-23-22-17/h2-9,12H,1,10-11H2,(H,21,24)
InChIKeyPOGFWMNQSSHZTL-UHFFFAOYSA-N
XLogP4.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide (CID 55984171) is 1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide is O=C(Nc1ccc(-c2csnn2)cc1)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is POGFWMNQSSHZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c20-15-6-4-14(5-7-15)19(10-1-11-19)18(24)21-16-8-2-13(3-9-16)17-12-25-23-22-17/h2-9,12H,1,10-11H2,(H,21,24).
What are the key properties of 1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 55984171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).