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

C10H12F6N2S — CID 173218608

IUPACN-(2,2,2-trifluoroethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCN(Cc1scnc1C(F)(F)F)CC(F)(F)F
InChIInChI=1S/C10H12F6N2S/c1-2-3-18(5-9(11,12)13)4-7-8(10(14,15)16)17-6-19-7/h6H,2-5H2,1H3
InChIKeyWQTUAJUHKDREGO-UHFFFAOYSA-N
MW306.28 g/mol
LogP3.94
Rot. Bonds5

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

N-(2,2,2-trifluoroethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 173218608) has the molecular formula C10H12F6N2S and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID173218608
Molecular FormulaC10H12F6N2S
Molecular Weight306.28 g/mol
Exact Mass306.06
IUPAC NameN-(2,2,2-trifluoroethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCN(Cc1scnc1C(F)(F)F)CC(F)(F)F
InChIInChI=1S/C10H12F6N2S/c1-2-3-18(5-9(11,12)13)4-7-8(10(14,15)16)17-6-19-7/h6H,2-5H2,1H3
InChIKeyWQTUAJUHKDREGO-UHFFFAOYSA-N
XLogP3.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 173218608) is N-(2,2,2-trifluoroethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCN(Cc1scnc1C(F)(F)F)CC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is WQTUAJUHKDREGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6N2S/c1-2-3-18(5-9(11,12)13)4-7-8(10(14,15)16)17-6-19-7/h6H,2-5H2,1H3.
What are the key properties of N-(2,2,2-trifluoroethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-(2,2,2-trifluoroethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 306.28 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 173218608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).