thiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine

C9H6F3N3S — CID 105146431

IUPACthiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1csnn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C9H6F3N3S/c10-5-2-1-4(7(11)8(5)12)9(13)6-3-16-15-14-6/h1-3,9H,13H2
InChIKeyLSVIMLATHCOYNI-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.00
Rot. Bonds2

About thiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine

thiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine (PubChem CID 105146431) has the molecular formula C9H6F3N3S and a molecular weight of 245.23 g/mol. Its IUPAC name is thiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Namethiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine
PubChem CID105146431
Molecular FormulaC9H6F3N3S
Molecular Weight245.23 g/mol
Exact Mass245.02
IUPAC Namethiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1csnn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C9H6F3N3S/c10-5-2-1-4(7(11)8(5)12)9(13)6-3-16-15-14-6/h1-3,9H,13H2
InChIKeyLSVIMLATHCOYNI-UHFFFAOYSA-N
XLogP2.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine
CID 105150754
1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146497
(3,5-difluorophenyl)-(thiadiazol-4-yl)methanamine
CID 105141972
thiadiazol-5-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146509
[(2,5-difluorophenyl)-(thiadiazol-4-yl)methyl]hydrazine
CID 105303327
(S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205796
(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 79749284
(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol
CID 105113694
(3-chloro-4-methylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 103405997
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 107475989
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol
CID 130658777

Frequently Asked Questions

What is the IUPAC name of thiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of thiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine (CID 105146431) is thiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for thiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for thiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine is NC(c1csnn1)c1ccc(F)c(F)c1F.
What is the InChIKey of thiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is LSVIMLATHCOYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3S/c10-5-2-1-4(7(11)8(5)12)9(13)6-3-16-15-14-6/h1-3,9H,13H2.
What are the key properties of thiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine?
thiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 245.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 105146431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).