6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine

C10H8ClF3N4S — CID 71995798

IUPAC6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine
SMILESFC(F)(F)c1csc(CCNc2cncc(Cl)n2)n1
InChIInChI=1S/C10H8ClF3N4S/c11-7-3-15-4-8(18-7)16-2-1-9-17-6(5-19-9)10(12,13)14/h3-5H,1-2H2,(H,16,18)
InChIKeyQHUULZLDWJXCOG-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.26
Rot. Bonds4

About 6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine

6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine (PubChem CID 71995798) has the molecular formula C10H8ClF3N4S and a molecular weight of 308.72 g/mol. Its IUPAC name is 6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine
PubChem CID71995798
Molecular FormulaC10H8ClF3N4S
Molecular Weight308.72 g/mol
Exact Mass308.01
IUPAC Name6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine
SMILESFC(F)(F)c1csc(CCNc2cncc(Cl)n2)n1
InChIInChI=1S/C10H8ClF3N4S/c11-7-3-15-4-8(18-7)16-2-1-9-17-6(5-19-9)10(12,13)14/h3-5H,1-2H2,(H,16,18)
InChIKeyQHUULZLDWJXCOG-UHFFFAOYSA-N
XLogP3.26
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine (CID 71995798) is 6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine is FC(F)(F)c1csc(CCNc2cncc(Cl)n2)n1.
What is the InChIKey of 6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine?
The InChIKey is QHUULZLDWJXCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4S/c11-7-3-15-4-8(18-7)16-2-1-9-17-6(5-19-9)10(12,13)14/h3-5H,1-2H2,(H,16,18).
What are the key properties of 6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine?
6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine has a molecular weight of 308.72 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine is sourced from PubChem (CID 71995798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).