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

C7H8ClF3N2S — CID 83151966

IUPAC4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CCCNc1nc(Cl)cs1
InChIInChI=1S/C7H8ClF3N2S/c8-5-4-14-6(13-5)12-3-1-2-7(9,10)11/h4H,1-3H2,(H,12,13)
InChIKeyKKGLCHISNVTCLF-UHFFFAOYSA-N
MW244.67 g/mol
LogP3.55
Rot. Bonds4

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

4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine (PubChem CID 83151966) has the molecular formula C7H8ClF3N2S and a molecular weight of 244.67 g/mol. Its IUPAC name is 4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine
PubChem CID83151966
Molecular FormulaC7H8ClF3N2S
Molecular Weight244.67 g/mol
Exact Mass244.00
IUPAC Name4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CCCNc1nc(Cl)cs1
InChIInChI=1S/C7H8ClF3N2S/c8-5-4-14-6(13-5)12-3-1-2-7(9,10)11/h4H,1-3H2,(H,12,13)
InChIKeyKKGLCHISNVTCLF-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 53.55
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-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine (CID 83151966) is 4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine is FC(F)(F)CCCNc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine?
The InChIKey is KKGLCHISNVTCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2S/c8-5-4-14-6(13-5)12-3-1-2-7(9,10)11/h4H,1-3H2,(H,12,13).
What are the key properties of 4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine?
4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine has a molecular weight of 244.67 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83151966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).