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

C8H10ClF3N2S — CID 174942869

IUPACN-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.FC(F)(F)C(Nc1nccs1)C1CC1
InChIInChI=1S/C8H9F3N2S.ClH/c9-8(10,11)6(5-1-2-5)13-7-12-3-4-14-7;/h3-6H,1-2H2,(H,12,13);1H
InChIKeyZGNFIBNWORMUKR-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.32
Rot. Bonds3

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

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 174942869) has the molecular formula C8H10ClF3N2S and a molecular weight of 258.70 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID174942869
Molecular FormulaC8H10ClF3N2S
Molecular Weight258.70 g/mol
Exact Mass258.02
IUPAC NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.FC(F)(F)C(Nc1nccs1)C1CC1
InChIInChI=1S/C8H9F3N2S.ClH/c9-8(10,11)6(5-1-2-5)13-7-12-3-4-14-7;/h3-6H,1-2H2,(H,12,13);1H
InChIKeyZGNFIBNWORMUKR-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride (CID 174942869) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride is Cl.FC(F)(F)C(Nc1nccs1)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is ZGNFIBNWORMUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2S.ClH/c9-8(10,11)6(5-1-2-5)13-7-12-3-4-14-7;/h3-6H,1-2H2,(H,12,13);1H.
What are the key properties of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride?
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 258.70 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 174942869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).