1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine

C9H6F3N3S — CID 105146497

IUPAC1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1cnsn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C9H6F3N3S/c10-5-2-1-4(7(11)8(5)12)9(13)6-3-14-16-15-6/h1-3,9H,13H2
InChIKeyIAOWBGKXLTXBEV-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.00
Rot. Bonds2

About 1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine

1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine (PubChem CID 105146497) has the molecular formula C9H6F3N3S and a molecular weight of 245.23 g/mol. Its IUPAC name is 1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine
PubChem CID105146497
Molecular FormulaC9H6F3N3S
Molecular Weight245.23 g/mol
Exact Mass245.02
IUPAC Name1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1cnsn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C9H6F3N3S/c10-5-2-1-4(7(11)8(5)12)9(13)6-3-14-16-15-6/h1-3,9H,13H2
InChIKeyIAOWBGKXLTXBEV-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

(4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine
CID 105076381
thiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146431
thiadiazol-5-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146509
(2,5-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105094780
(S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205796
[2-(3-bromo-2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
CID 106271658
(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 79749284
(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115855177
(6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine
CID 105146258
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 107475989
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855292

Frequently Asked Questions

What is the IUPAC name of 1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of 1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine (CID 105146497) is 1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for 1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for 1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine is NC(c1cnsn1)c1ccc(F)c(F)c1F.
What is the InChIKey of 1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is IAOWBGKXLTXBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3S/c10-5-2-1-4(7(11)8(5)12)9(13)6-3-14-16-15-6/h1-3,9H,13H2.
What are the key properties of 1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine?
1,2,5-thiadiazol-3-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 1,2,5-thiadiazol-3-yl-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 105146497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).