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

C12H17F3N2S — CID 173218540

IUPAC2-cyclopropyl-N-ethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCN(CCC1CC1)Cc1scnc1C(F)(F)F
InChIInChI=1S/C12H17F3N2S/c1-2-17(6-5-9-3-4-9)7-10-11(12(13,14)15)16-8-18-10/h8-9H,2-7H2,1H3
InChIKeySXSCJBPOMAJYOR-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.78
Rot. Bonds6

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

2-cyclopropyl-N-ethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 173218540) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID173218540
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name2-cyclopropyl-N-ethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCN(CCC1CC1)Cc1scnc1C(F)(F)F
InChIInChI=1S/C12H17F3N2S/c1-2-17(6-5-9-3-4-9)7-10-11(12(13,14)15)16-8-18-10/h8-9H,2-7H2,1H3
InChIKeySXSCJBPOMAJYOR-UHFFFAOYSA-N
XLogP3.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-cyclopropyl-N-ethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 173218540) is 2-cyclopropyl-N-ethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCN(CCC1CC1)Cc1scnc1C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-N-ethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is SXSCJBPOMAJYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-2-17(6-5-9-3-4-9)7-10-11(12(13,14)15)16-8-18-10/h8-9H,2-7H2,1H3.
What are the key properties of 2-cyclopropyl-N-ethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
2-cyclopropyl-N-ethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 278.34 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 173218540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).