5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine

C11H17F3N2S — CID 115520980

IUPAC5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)CCCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C11H17F3N2S/c12-11(13,14)5-1-2-6-15-10-16-7-9(17-10)8-3-4-8/h8-9H,1-7H2,(H,15,16)
InChIKeyZLKOTAUDPBXZGX-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.19
Rot. Bonds5

About 5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 115520980) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID115520980
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC Name5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)CCCCNC1=NCC(C2CC2)S1
InChIInChI=1S/C11H17F3N2S/c12-11(13,14)5-1-2-6-15-10-16-7-9(17-10)8-3-4-8/h8-9H,1-7H2,(H,15,16)
InChIKeyZLKOTAUDPBXZGX-UHFFFAOYSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296749
5-cyclopropyl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63297490
5-(2,2-dimethylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943219
5-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943224
5-propyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943236
5-cyclopropyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943239
5-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943240
4-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943249
5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219327
5-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219334
5-cyclopropyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219339
5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219341

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 115520980) is 5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine is FC(F)(F)CCCCNC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZLKOTAUDPBXZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c12-11(13,14)5-1-2-6-15-10-16-7-9(17-10)8-3-4-8/h8-9H,1-7H2,(H,15,16).
What are the key properties of 5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 266.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 115520980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).