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

C4H4ClF3N2S — CID 56956237

IUPAC5-(trifluoromethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C4H3F3N2S.ClH/c5-4(6,7)2-1-9-3(8)10-2;/h1H,(H2,8,9);1H
InChIKeyNJGCZGDARMLABP-UHFFFAOYSA-N
MW204.60 g/mol
LogP2.17
Rot. Bonds

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

5-(trifluoromethyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 56956237) has the molecular formula C4H4ClF3N2S and a molecular weight of 204.60 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID56956237
Molecular FormulaC4H4ClF3N2S
Molecular Weight204.60 g/mol
Exact Mass203.97
IUPAC Name5-(trifluoromethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C4H3F3N2S.ClH/c5-4(6,7)2-1-9-3(8)10-2;/h1H,(H2,8,9);1H
InChIKeyNJGCZGDARMLABP-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 5-(trifluoromethyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-(trifluoromethyl)-1,3-thiazol-2-amine;hydrochloride (CID 56956237) is 5-(trifluoromethyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(trifluoromethyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-(trifluoromethyl)-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of 5-(trifluoromethyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is NJGCZGDARMLABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S.ClH/c5-4(6,7)2-1-9-3(8)10-2;/h1H,(H2,8,9);1H.
What are the key properties of 5-(trifluoromethyl)-1,3-thiazol-2-amine;hydrochloride?
5-(trifluoromethyl)-1,3-thiazol-2-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 5-(trifluoromethyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 56956237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).