N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine

C10H12F6N2S — CID 103312253

IUPACN-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine
SMILESCCNC(Cc1cncs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6N2S/c1-2-18-7(3-6-4-17-5-19-6)8(9(11,12)13)10(14,15)16/h4-5,7-8,18H,2-3H2,1H3
InChIKeyHMBPWWQPMQGYMG-UHFFFAOYSA-N
MW306.28 g/mol
LogP3.40
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine

N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine (PubChem CID 103312253) has the molecular formula C10H12F6N2S and a molecular weight of 306.28 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine
PubChem CID103312253
Molecular FormulaC10H12F6N2S
Molecular Weight306.28 g/mol
Exact Mass306.06
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine
SMILESCCNC(Cc1cncs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6N2S/c1-2-18-7(3-6-4-17-5-19-6)8(9(11,12)13)10(14,15)16/h4-5,7-8,18H,2-3H2,1H3
InChIKeyHMBPWWQPMQGYMG-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine (CID 103312253) is N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine is CCNC(Cc1cncs1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine?
The InChIKey is HMBPWWQPMQGYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6N2S/c1-2-18-7(3-6-4-17-5-19-6)8(9(11,12)13)10(14,15)16/h4-5,7-8,18H,2-3H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine?
N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine has a molecular weight of 306.28 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103312253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).