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

C10H7F3N2S — CID 63077873

IUPAC1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine
SMILESNC(c1cc(F)c(F)c(F)c1)c1nccs1
InChIInChI=1S/C10H7F3N2S/c11-6-3-5(4-7(12)8(6)13)9(14)10-15-1-2-16-10/h1-4,9H,14H2
InChIKeyOUMLTAYPSARTSW-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.61
Rot. Bonds2

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

1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine (PubChem CID 63077873) has the molecular formula C10H7F3N2S and a molecular weight of 244.24 g/mol. Its IUPAC name is 1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine
PubChem CID63077873
Molecular FormulaC10H7F3N2S
Molecular Weight244.24 g/mol
Exact Mass244.03
IUPAC Name1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine
SMILESNC(c1cc(F)c(F)c(F)c1)c1nccs1
InChIInChI=1S/C10H7F3N2S/c11-6-3-5(4-7(12)8(6)13)9(14)10-15-1-2-16-10/h1-4,9H,14H2
InChIKeyOUMLTAYPSARTSW-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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

3-[amino(1,3-thiazol-2-yl)methyl]phenol
CID 115024716
(3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine
CID 106818042
quinolin-6-yl(1,3-thiazol-2-yl)methanamine
CID 63970380
(7-chloro-1,3-benzodioxol-5-yl)-(1,3-thiazol-2-yl)methanamine
CID 61332839
(3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol
CID 107128181
(3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol
CID 118355623
(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine
CID 92669809
(5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine
CID 61347211
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1,3-thiazol-2-yl)methanamine
CID 61332442
(4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62496797
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 63078223
(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62499480

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of 1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine (CID 63077873) is 1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for 1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for 1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine is NC(c1cc(F)c(F)c(F)c1)c1nccs1.
What is the InChIKey of 1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is OUMLTAYPSARTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2S/c11-6-3-5(4-7(12)8(6)13)9(14)10-15-1-2-16-10/h1-4,9H,14H2.
What are the key properties of 1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine?
1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine has a molecular weight of 244.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 63077873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).