N-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline

C18H16FN3S — CID 75398581

IUPACN-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline
SMILESFc1ccc(C2CC(Nc3ccc(-c4csnn4)cc3)C2)cc1
InChIInChI=1S/C18H16FN3S/c19-15-5-1-12(2-6-15)14-9-17(10-14)20-16-7-3-13(4-8-16)18-11-23-22-21-18/h1-8,11,14,17,20H,9-10H2
InChIKeyNOVSJQAUZTZJSV-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.70
Rot. Bonds4

About N-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline

N-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline (PubChem CID 75398581) has the molecular formula C18H16FN3S and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline
PubChem CID75398581
Molecular FormulaC18H16FN3S
Molecular Weight325.41 g/mol
Exact Mass325.10
IUPAC NameN-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline
SMILESFc1ccc(C2CC(Nc3ccc(-c4csnn4)cc3)C2)cc1
InChIInChI=1S/C18H16FN3S/c19-15-5-1-12(2-6-15)14-9-17(10-14)20-16-7-3-13(4-8-16)18-11-23-22-21-18/h1-8,11,14,17,20H,9-10H2
InChIKeyNOVSJQAUZTZJSV-UHFFFAOYSA-N
XLogP4.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline
CID 13427194
3-N-[(3-fluorophenyl)methyl]-1-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzene-1,3-diamine
CID 60064743
3-N-[(2,4-difluorophenyl)methyl]-1-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzene-1,3-diamine
CID 60064787
1-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-3-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,3-diamine
CID 60064800
3-N-[(3,5-difluorophenyl)methyl]-1-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzene-1,3-diamine
CID 60064809
3-[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]-2H-thiazete
CID 89901152
4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline
CID 174509471
N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline
CID 43663864
3-Fluoro-4-methyl-N-(1,2,3-thiadiazol-4-ylmethyl)aniline
CID 43663928
2-fluoro-4-methyl-N-[(1,2,3-thiadiazol-4-yl)methyl]aniline
CID 43664093
1-(4-fluorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclobutane-1-carboxamide
CID 55984171
1-[2-(4-Fluorophenyl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577664

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline?
The IUPAC name of N-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline (CID 75398581) is N-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline.
What is the SMILES notation for N-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline?
The canonical SMILES for N-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline is Fc1ccc(C2CC(Nc3ccc(-c4csnn4)cc3)C2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline?
The InChIKey is NOVSJQAUZTZJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3S/c19-15-5-1-12(2-6-15)14-9-17(10-14)20-16-7-3-13(4-8-16)18-11-23-22-21-18/h1-8,11,14,17,20H,9-10H2.
What are the key properties of N-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline?
N-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline has a molecular weight of 325.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline is sourced from PubChem (CID 75398581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).