N,N-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine

C8H11F3N2S2 — CID 75384958

IUPACN,N-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine
SMILESCN(C)CCSc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2S2/c1-13(2)3-4-14-7-12-6(5-15-7)8(9,10)11/h5H,3-4H2,1-2H3
InChIKeyIMMBTPWXYWTRKM-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.82
Rot. Bonds4

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

N,N-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine (PubChem CID 75384958) has the molecular formula C8H11F3N2S2 and a molecular weight of 256.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine
PubChem CID75384958
Molecular FormulaC8H11F3N2S2
Molecular Weight256.32 g/mol
Exact Mass256.03
IUPAC NameN,N-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine
SMILESCN(C)CCSc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2S2/c1-13(2)3-4-14-7-12-6(5-15-7)8(9,10)11/h5H,3-4H2,1-2H3
InChIKeyIMMBTPWXYWTRKM-UHFFFAOYSA-N
XLogP2.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine (CID 75384958) is N,N-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine is CN(C)CCSc1nc(C(F)(F)F)cs1.
What is the InChIKey of N,N-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine?
The InChIKey is IMMBTPWXYWTRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S2/c1-13(2)3-4-14-7-12-6(5-15-7)8(9,10)11/h5H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine?
N,N-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine has a molecular weight of 256.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine is sourced from PubChem (CID 75384958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).