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

C5H4ClF3N2S — CID 83152517

IUPAC4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CNc1nc(Cl)cs1
InChIInChI=1S/C5H4ClF3N2S/c6-3-1-12-4(11-3)10-2-5(7,8)9/h1H,2H2,(H,10,11)
InChIKeyDKKMLRTXBHTMNA-UHFFFAOYSA-N
MW216.62 g/mol
LogP2.77
Rot. Bonds2

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

4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 83152517) has the molecular formula C5H4ClF3N2S and a molecular weight of 216.62 g/mol. Its IUPAC name is 4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID83152517
Molecular FormulaC5H4ClF3N2S
Molecular Weight216.62 g/mol
Exact Mass215.97
IUPAC Name4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CNc1nc(Cl)cs1
InChIInChI=1S/C5H4ClF3N2S/c6-3-1-12-4(11-3)10-2-5(7,8)9/h1H,2H2,(H,10,11)
InChIKeyDKKMLRTXBHTMNA-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-ethyl-1,3-thiazol-2-amine
CID 83157418
4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79398747
4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79400506
4-chloro-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine
CID 83151845
4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 83151949
4-chloro-N-(4,4,4-trifluorobutyl)-1,3-thiazol-2-amine
CID 83151966
4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine
CID 83152085
4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
CID 83152900
4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 83155974
4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 83156445
4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 83156607
4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 83156710

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 83152517) is 4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is FC(F)(F)CNc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is DKKMLRTXBHTMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3N2S/c6-3-1-12-4(11-3)10-2-5(7,8)9/h1H,2H2,(H,10,11).
What are the key properties of 4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 216.62 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83152517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).