5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine

C10H7F3N2S — CID 16769708

IUPAC5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2ccc(F)c(F)c2F)s1
InChIInChI=1S/C10H7F3N2S/c11-7-2-1-5(8(12)9(7)13)3-6-4-15-10(14)16-6/h1-2,4H,3H2,(H2,14,15)
InChIKeyFCGFLMKPFPJGAV-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.73
Rot. Bonds2

About 5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine

5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 16769708) has the molecular formula C10H7F3N2S and a molecular weight of 244.24 g/mol. Its IUPAC name is 5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID16769708
Molecular FormulaC10H7F3N2S
Molecular Weight244.24 g/mol
Exact Mass244.03
IUPAC Name5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2ccc(F)c(F)c2F)s1
InChIInChI=1S/C10H7F3N2S/c11-7-2-1-5(8(12)9(7)13)3-6-4-15-10(14)16-6/h1-2,4H,3H2,(H2,14,15)
InChIKeyFCGFLMKPFPJGAV-UHFFFAOYSA-N
XLogP2.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Benzyl-1,3-thiazol-2-amine
CID 691952
Thiourea, N-(2-(2,6-difluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001093
Thiourea, N-(2-(2-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001162
Thiourea, N-(2-(3-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001163
Thiourea, N-(2-(4-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001164
5-(4-Bromobenzyl)-1,3-thiazol-2-amine
CID 727750
5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 935229
5-{[4-(Trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-amine
CID 16228111
5-[(4-Chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 701041
5-[(3-Chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 795027
5-Phenyl-thiazol-2-ylamine
CID 873119
5-Phenylthiazole
CID 595209

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine (CID 16769708) is 5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine is Nc1ncc(Cc2ccc(F)c(F)c2F)s1.
What is the InChIKey of 5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is FCGFLMKPFPJGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2S/c11-7-2-1-5(8(12)9(7)13)3-6-4-15-10(14)16-6/h1-2,4H,3H2,(H2,14,15).
What are the key properties of 5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 244.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 16769708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).