N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride

C8H10ClF3N2S — CID 175417371

IUPACN-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride
SMILESCNc1csc(C2(C(F)(F)F)CC2)n1.Cl
InChIInChI=1S/C8H9F3N2S.ClH/c1-12-5-4-14-6(13-5)7(2-3-7)8(9,10)11;/h4,12H,2-3H2,1H3;1H
InChIKeyDTHNACWSCWZPKW-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.20
Rot. Bonds2

About N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride

N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride (PubChem CID 175417371) has the molecular formula C8H10ClF3N2S and a molecular weight of 258.70 g/mol. Its IUPAC name is N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride
PubChem CID175417371
Molecular FormulaC8H10ClF3N2S
Molecular Weight258.70 g/mol
Exact Mass258.02
IUPAC NameN-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride
SMILESCNc1csc(C2(C(F)(F)F)CC2)n1.Cl
InChIInChI=1S/C8H9F3N2S.ClH/c1-12-5-4-14-6(13-5)7(2-3-7)8(9,10)11;/h4,12H,2-3H2,1H3;1H
InChIKeyDTHNACWSCWZPKW-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride?
The IUPAC name of N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride (CID 175417371) is N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride?
The canonical SMILES for N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride is CNc1csc(C2(C(F)(F)F)CC2)n1.Cl.
What is the InChIKey of N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride?
The InChIKey is DTHNACWSCWZPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2S.ClH/c1-12-5-4-14-6(13-5)7(2-3-7)8(9,10)11;/h4,12H,2-3H2,1H3;1H.
What are the key properties of N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride?
N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride has a molecular weight of 258.70 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine;hydrochloride is sourced from PubChem (CID 175417371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).