N-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine

C11H11F3N4S — CID 106784354

IUPACN-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine
SMILESCCCNc1nccnc1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H11F3N4S/c1-2-3-16-9-8(15-4-5-17-9)7-6-18-10(19-7)11(12,13)14/h4-6H,2-3H2,1H3,(H,16,17)
InChIKeyUUESSJWRHSAWDM-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.44
Rot. Bonds4

About N-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine

N-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine (PubChem CID 106784354) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is N-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine
PubChem CID106784354
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC NameN-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine
SMILESCCCNc1nccnc1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H11F3N4S/c1-2-3-16-9-8(15-4-5-17-9)7-6-18-10(19-7)11(12,13)14/h4-6H,2-3H2,1H3,(H,16,17)
InChIKeyUUESSJWRHSAWDM-UHFFFAOYSA-N
XLogP3.44
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine?
The IUPAC name of N-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine (CID 106784354) is N-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine.
What is the SMILES notation for N-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine?
The canonical SMILES for N-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine is CCCNc1nccnc1-c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine?
The InChIKey is UUESSJWRHSAWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-2-3-16-9-8(15-4-5-17-9)7-6-18-10(19-7)11(12,13)14/h4-6H,2-3H2,1H3,(H,16,17).
What are the key properties of N-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine?
N-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine has a molecular weight of 288.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazin-2-amine is sourced from PubChem (CID 106784354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).