5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine

C9H6F3N3S2 — CID 15729200

IUPAC5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Sc2ccc(C(F)(F)F)cn2)s1
InChIInChI=1S/C9H6F3N3S2/c10-9(11,12)5-1-2-6(14-3-5)16-7-4-15-8(13)17-7/h1-4H,(H2,13,15)
InChIKeyQOIWLQCLCWCFLJ-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.29
Rot. Bonds2

About 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine

5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine (PubChem CID 15729200) has the molecular formula C9H6F3N3S2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine
PubChem CID15729200
Molecular FormulaC9H6F3N3S2
Molecular Weight277.30 g/mol
Exact Mass277.00
IUPAC Name5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Sc2ccc(C(F)(F)F)cn2)s1
InChIInChI=1S/C9H6F3N3S2/c10-9(11,12)5-1-2-6(14-3-5)16-7-4-15-8(13)17-7/h1-4H,(H2,13,15)
InChIKeyQOIWLQCLCWCFLJ-UHFFFAOYSA-N
XLogP3.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine (CID 15729200) is 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine is Nc1ncc(Sc2ccc(C(F)(F)F)cn2)s1.
What is the InChIKey of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine?
The InChIKey is QOIWLQCLCWCFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3S2/c10-9(11,12)5-1-2-6(14-3-5)16-7-4-15-8(13)17-7/h1-4H,(H2,13,15).
What are the key properties of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine?
5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine has a molecular weight of 277.30 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 15729200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).