N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine

C10H11F3N4S — CID 79774939

IUPACN-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(Cn2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C10H11F3N4S/c1-2-14-9-15-4-8(18-9)6-17-5-7(3-16-17)10(11,12)13/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyLZQSXMVOESRWHU-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.84
Rot. Bonds4

About N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine

N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 79774939) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID79774939
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC NameN-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(Cn2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C10H11F3N4S/c1-2-14-9-15-4-8(18-9)6-17-5-7(3-16-17)10(11,12)13/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyLZQSXMVOESRWHU-UHFFFAOYSA-N
XLogP2.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine (CID 79774939) is N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine is CCNc1ncc(Cn2cc(C(F)(F)F)cn2)s1.
What is the InChIKey of N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is LZQSXMVOESRWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c1-2-14-9-15-4-8(18-9)6-17-5-7(3-16-17)10(11,12)13/h3-5H,2,6H2,1H3,(H,14,15).
What are the key properties of N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine?
N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 276.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).