thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C9H7F3N2S2 — CID 106782967

IUPACthiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cccs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H7F3N2S2/c10-9(11,12)8-14-4-6(16-8)7(13)5-2-1-3-15-5/h1-4,7H,13H2
InChIKeyFURONWUOZVUMQS-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.27
Rot. Bonds2

About thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106782967) has the molecular formula C9H7F3N2S2 and a molecular weight of 264.30 g/mol. Its IUPAC name is thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Namethiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106782967
Molecular FormulaC9H7F3N2S2
Molecular Weight264.30 g/mol
Exact Mass264.00
IUPAC Namethiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cccs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H7F3N2S2/c10-9(11,12)8-14-4-6(16-8)7(13)5-2-1-3-15-5/h1-4,7H,13H2
InChIKeyFURONWUOZVUMQS-UHFFFAOYSA-N
XLogP3.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106782967) is thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is NC(c1cccs1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is FURONWUOZVUMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S2/c10-9(11,12)8-14-4-6(16-8)7(13)5-2-1-3-15-5/h1-4,7H,13H2.
What are the key properties of thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 264.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106782967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).