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

C12H15F3N4S2 — CID 106786474

IUPACN-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)c1snnc1C(C)C
InChIInChI=1S/C12H15F3N4S2/c1-4-16-9(10-8(6(2)3)18-19-21-10)7-5-17-11(20-7)12(13,14)15/h5-6,9,16H,4H2,1-3H3
InChIKeyRIFRUOXYPIBRKK-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.84
Rot. Bonds5

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

N-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 106786474) has the molecular formula C12H15F3N4S2 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID106786474
Molecular FormulaC12H15F3N4S2
Molecular Weight336.41 g/mol
Exact Mass336.07
IUPAC NameN-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)c1snnc1C(C)C
InChIInChI=1S/C12H15F3N4S2/c1-4-16-9(10-8(6(2)3)18-19-21-10)7-5-17-11(20-7)12(13,14)15/h5-6,9,16H,4H2,1-3H3
InChIKeyRIFRUOXYPIBRKK-UHFFFAOYSA-N
XLogP3.84
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785683
N-[(3-chlorothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106785064
N-[(2-methyl-1,3-thiazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106786078
N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783665
N-ethyl-2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785865
N-ethyl-2,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106785855
N-[(3-fluoro-5-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783572
N-ethyl-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785042
N-[(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106786407
N-[(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 105149394
N-[(2-fluoro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106786434
N-[(2-bromofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106859032

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 106786474) is N-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNC(c1cnc(C(F)(F)F)s1)c1snnc1C(C)C.
What is the InChIKey of N-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is RIFRUOXYPIBRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4S2/c1-4-16-9(10-8(6(2)3)18-19-21-10)7-5-17-11(20-7)12(13,14)15/h5-6,9,16H,4H2,1-3H3.
What are the key properties of N-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 336.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106786474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).