3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride

C4H4ClF3N2S — CID 167735224

IUPAC3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)ns1
InChIInChI=1S/C4H3F3N2S.ClH/c5-4(6,7)2-1-3(8)10-9-2;/h1H,8H2;1H
InChIKeyUONQDVGJMAUSAW-UHFFFAOYSA-N
MW204.60 g/mol
LogP2.17
Rot. Bonds

About 3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride

3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride (PubChem CID 167735224) has the molecular formula C4H4ClF3N2S and a molecular weight of 204.60 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride
PubChem CID167735224
Molecular FormulaC4H4ClF3N2S
Molecular Weight204.60 g/mol
Exact Mass203.97
IUPAC Name3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)ns1
InChIInChI=1S/C4H3F3N2S.ClH/c5-4(6,7)2-1-3(8)10-9-2;/h1H,8H2;1H
InChIKeyUONQDVGJMAUSAW-UHFFFAOYSA-N
XLogP2.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.60
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride (CID 167735224) is 3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride is Cl.Nc1cc(C(F)(F)F)ns1.
What is the InChIKey of 3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride?
The InChIKey is UONQDVGJMAUSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S.ClH/c5-4(6,7)2-1-3(8)10-9-2;/h1H,8H2;1H.
What are the key properties of 3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride?
3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride has a molecular weight of 204.60 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,2-thiazol-5-amine;hydrochloride is sourced from PubChem (CID 167735224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).