2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

C10H12F3N3S — CID 103097448

IUPAC2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1nc(C(C)(N)C(F)(F)F)cs1
InChIInChI=1S/C10H12F3N3S/c1-8(2,5-14)7-16-6(4-17-7)9(3,15)10(11,12)13/h4H,15H2,1-3H3
InChIKeyIGCQHRFBLISRBB-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.68
Rot. Bonds2

About 2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile (PubChem CID 103097448) has the molecular formula C10H12F3N3S and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
PubChem CID103097448
Molecular FormulaC10H12F3N3S
Molecular Weight263.29 g/mol
Exact Mass263.07
IUPAC Name2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1nc(C(C)(N)C(F)(F)F)cs1
InChIInChI=1S/C10H12F3N3S/c1-8(2,5-14)7-16-6(4-17-7)9(3,15)10(11,12)13/h4H,15H2,1-3H3
InChIKeyIGCQHRFBLISRBB-UHFFFAOYSA-N
XLogP2.68
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(Trifluoromethyl)-1,3-thiazol-2-yl)butan-2-amine hydrochloride
CID 154832860
1-(2-(Trifluoromethyl)thiazol-4-yl)ethan-1-amine
CID 21615774
2-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 56828513
2-(2-(Trifluoromethyl)thiazol-4-yl)propan-2-amine
CID 96864974
4-Tert-butyl-2-(trifluoromethyl)-1,3-thiazole
CID 104436740
4-Tert-butyl-2-(1,1-difluoroethyl)-1,3-thiazole
CID 169941785
2-Tert-butyl-4-(1,1-difluoroethyl)-1,3-thiazole
CID 178482793
(4-tert-Butyl-1,3-thiazol-2-yl)acetonitrile
CID 2796703
3-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]pentan-3-amine
CID 61337661
2-(4-(Trifluoromethyl)thiazol-2-yl)butan-2-amine
CID 61339009
2-(4-Ethyl-1,3-thiazol-2-yl)butan-2-amine
CID 62040006
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-4-yl]ethanamine
CID 64542850

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile (CID 103097448) is 2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile is CC(C)(C#N)c1nc(C(C)(N)C(F)(F)F)cs1.
What is the InChIKey of 2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
The InChIKey is IGCQHRFBLISRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3S/c1-8(2,5-14)7-16-6(4-17-7)9(3,15)10(11,12)13/h4H,15H2,1-3H3.
What are the key properties of 2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile has a molecular weight of 263.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-1,1,1-trifluoropropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile is sourced from PubChem (CID 103097448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).