4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride

C5H6ClF3N2S — CID 119056880

IUPAC4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(CC(F)(F)F)cs1
InChIInChI=1S/C5H5F3N2S.ClH/c6-5(7,8)1-3-2-11-4(9)10-3;/h2H,1H2,(H2,9,10);1H
InChIKeyDHTDOEZIODSWMJ-UHFFFAOYSA-N
MW218.63 g/mol
LogP2.25
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride

4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 119056880) has the molecular formula C5H6ClF3N2S and a molecular weight of 218.63 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID119056880
Molecular FormulaC5H6ClF3N2S
Molecular Weight218.63 g/mol
Exact Mass217.99
IUPAC Name4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(CC(F)(F)F)cs1
InChIInChI=1S/C5H5F3N2S.ClH/c6-5(7,8)1-3-2-11-4(9)10-3;/h2H,1H2,(H2,9,10);1H
InChIKeyDHTDOEZIODSWMJ-UHFFFAOYSA-N
XLogP2.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.63
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-methylthiazole
CID 74143
2-Thiazolamine, 4-methyl-, hydrochloride (1:1)
CID 80240
4-tert-Butyl-1,3-thiazol-2-amine
CID 2734202
2-Thiazolamine, 4-(trifluoromethyl)-
CID 1201417
4-Ethyl-1,3-thiazol-2-amine
CID 12378205
4-(2-Aminoethyl)-1,3-thiazol-2-amine
CID 10964631
4-(Propan-2-yl)-1,3-thiazol-2-amine
CID 7064077
2-Hydrazinyl-4-(trifluoromethyl)-1,3-thiazole
CID 15717194
4-(Trideuteriomethyl)-1,3-thiazol-2-amine
CID 45785356
4-Ethyl-1,3-thiazol-2-amine hydrochloride
CID 50988207
4-(2-Aminoethyl)-1,3-thiazol-2-amine dihydrochloride
CID 71685850
4-Propyl-1,3-thiazol-2-amine hydrochloride
CID 71757760

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride (CID 119056880) is 4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1nc(CC(F)(F)F)cs1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is DHTDOEZIODSWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S.ClH/c6-5(7,8)1-3-2-11-4(9)10-3;/h2H,1H2,(H2,9,10);1H.
What are the key properties of 4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride?
4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 218.63 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 119056880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).