1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine

C10H9F3N2S2 — CID 113461182

IUPAC1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine
SMILESCC(N)(c1csc(-c2ccsc2)n1)C(F)(F)F
InChIInChI=1S/C10H9F3N2S2/c1-9(14,10(11,12)13)7-5-17-8(15-7)6-2-3-16-4-6/h2-5H,14H2,1H3
InChIKeyWJEOJDKVJHTNSJ-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.61
Rot. Bonds2

About 1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine

1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine (PubChem CID 113461182) has the molecular formula C10H9F3N2S2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine
PubChem CID113461182
Molecular FormulaC10H9F3N2S2
Molecular Weight278.32 g/mol
Exact Mass278.02
IUPAC Name1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine
SMILESCC(N)(c1csc(-c2ccsc2)n1)C(F)(F)F
InChIInChI=1S/C10H9F3N2S2/c1-9(14,10(11,12)13)7-5-17-8(15-7)6-2-3-16-4-6/h2-5H,14H2,1H3
InChIKeyWJEOJDKVJHTNSJ-UHFFFAOYSA-N
XLogP3.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1,1,1-trifluoro-2-thiophen-3-ylpropan-2-amine
CID 131081620
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole
CID 115686479
4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111448602
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122802
3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111469045
2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 116891702
2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
2-amino-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetic acid
CID 104527084
N-(1-hydroxy-2-methylbutan-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 64557574

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine (CID 113461182) is 1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine is CC(N)(c1csc(-c2ccsc2)n1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is WJEOJDKVJHTNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2S2/c1-9(14,10(11,12)13)7-5-17-8(15-7)6-2-3-16-4-6/h2-5H,14H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine?
1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine has a molecular weight of 278.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 113461182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).