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

C11H13F3N4S — CID 62441773

IUPACN-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(Cn2ccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C11H13F3N4S/c1-2-15-5-10-16-8(7-19-10)6-18-4-3-9(17-18)11(12,13)14/h3-4,7,15H,2,5-6H2,1H3
InChIKeyCGNBCBMJRPCFCX-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.52
Rot. Bonds5

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

N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62441773) has the molecular formula C11H13F3N4S and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62441773
Molecular FormulaC11H13F3N4S
Molecular Weight290.31 g/mol
Exact Mass290.08
IUPAC NameN-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(Cn2ccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C11H13F3N4S/c1-2-15-5-10-16-8(7-19-10)6-18-4-3-9(17-18)11(12,13)14/h3-4,7,15H,2,5-6H2,1H3
InChIKeyCGNBCBMJRPCFCX-UHFFFAOYSA-N
XLogP2.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine (CID 62441773) is N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(Cn2ccc(C(F)(F)F)n2)cs1.
What is the InChIKey of N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is CGNBCBMJRPCFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4S/c1-2-15-5-10-16-8(7-19-10)6-18-4-3-9(17-18)11(12,13)14/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 290.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62441773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).