N-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C14H20F3N3S — CID 126535000

IUPACN-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCN(C)/C=C/Cc1sc(NC2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C14H20F3N3S/c1-20(2)9-5-8-11-12(14(15,16)17)19-13(21-11)18-10-6-3-4-7-10/h5,9-10H,3-4,6-8H2,1-2H3,(H,18,19)/b9-5+
InChIKeyUTNYJLJTDMYKLP-WEVVVXLNSA-N
MW319.40 g/mol
LogP4.13
Rot. Bonds5

About N-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 126535000) has the molecular formula C14H20F3N3S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID126535000
Molecular FormulaC14H20F3N3S
Molecular Weight319.40 g/mol
Exact Mass319.13
IUPAC NameN-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCN(C)/C=C/Cc1sc(NC2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C14H20F3N3S/c1-20(2)9-5-8-11-12(14(15,16)17)19-13(21-11)18-10-6-3-4-7-10/h5,9-10H,3-4,6-8H2,1-2H3,(H,18,19)/b9-5+
InChIKeyUTNYJLJTDMYKLP-WEVVVXLNSA-N
XLogP4.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 126535000) is N-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is CN(C)/C=C/Cc1sc(NC2CCCC2)nc1C(F)(F)F.
What is the InChIKey of N-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is UTNYJLJTDMYKLP-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H20F3N3S/c1-20(2)9-5-8-11-12(14(15,16)17)19-13(21-11)18-10-6-3-4-7-10/h5,9-10H,3-4,6-8H2,1-2H3,(H,18,19)/b9-5+.
What are the key properties of N-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 319.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[(E)-3-(dimethylamino)prop-2-enyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 126535000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).