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

C8H10ClF3N2S — CID 83152085

IUPAC4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CCCCNc1nc(Cl)cs1
InChIInChI=1S/C8H10ClF3N2S/c9-6-5-15-7(14-6)13-4-2-1-3-8(10,11)12/h5H,1-4H2,(H,13,14)
InChIKeyKNLHJTSMQFWJNC-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.94
Rot. Bonds5

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

4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine (PubChem CID 83152085) has the molecular formula C8H10ClF3N2S and a molecular weight of 258.70 g/mol. Its IUPAC name is 4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine
PubChem CID83152085
Molecular FormulaC8H10ClF3N2S
Molecular Weight258.70 g/mol
Exact Mass258.02
IUPAC Name4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CCCCNc1nc(Cl)cs1
InChIInChI=1S/C8H10ClF3N2S/c9-6-5-15-7(14-6)13-4-2-1-3-8(10,11)12/h5H,1-4H2,(H,13,14)
InChIKeyKNLHJTSMQFWJNC-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.94
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine (CID 83152085) is 4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine is FC(F)(F)CCCCNc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine?
The InChIKey is KNLHJTSMQFWJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2S/c9-6-5-15-7(14-6)13-4-2-1-3-8(10,11)12/h5H,1-4H2,(H,13,14).
What are the key properties of 4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine?
4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine has a molecular weight of 258.70 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83152085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).