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

C10H7F3N2S — CID 107935845

IUPAC5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine
SMILESCc1sc(-c2ccc(F)c(F)c2F)nc1N
InChIInChI=1S/C10H7F3N2S/c1-4-9(14)15-10(16-4)5-2-3-6(11)8(13)7(5)12/h2-3H,14H2,1H3
InChIKeyIWNPWFGXBZWQMW-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.12
Rot. Bonds1

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

5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine (PubChem CID 107935845) has the molecular formula C10H7F3N2S and a molecular weight of 244.24 g/mol. Its IUPAC name is 5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine
PubChem CID107935845
Molecular FormulaC10H7F3N2S
Molecular Weight244.24 g/mol
Exact Mass244.03
IUPAC Name5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine
SMILESCc1sc(-c2ccc(F)c(F)c2F)nc1N
InChIInChI=1S/C10H7F3N2S/c1-4-9(14)15-10(16-4)5-2-3-6(11)8(13)7(5)12/h2-3H,14H2,1H3
InChIKeyIWNPWFGXBZWQMW-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.12
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

[4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 107935513
4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline
CID 107593669
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881
7,8-difluoro-3-methylquinolin-2-amine
CID 63232819
4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline
CID 107935455
4-ethyl-2-(2,3,4-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107935411
5-methyl-2-pyrimidin-2-yl-1,3-thiazol-4-amine
CID 83107646
N-[[4-propan-2-yl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107935540
2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 116887626
5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine
CID 87425040
2,5-dibromo-4-(2,3,4-trifluorophenyl)-1,3-thiazole
CID 165348130
2-(5-fluoro-6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazol-4-amine
CID 118370314

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine?
The IUPAC name of 5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine (CID 107935845) is 5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine?
The canonical SMILES for 5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine is Cc1sc(-c2ccc(F)c(F)c2F)nc1N.
What is the InChIKey of 5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine?
The InChIKey is IWNPWFGXBZWQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2S/c1-4-9(14)15-10(16-4)5-2-3-6(11)8(13)7(5)12/h2-3H,14H2,1H3.
What are the key properties of 5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine?
5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine has a molecular weight of 244.24 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 107935845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).