4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride

C11H9Cl2F3N2S — CID 175000898

IUPAC4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride
SMILESCNc1sc(C(F)(F)F)nc1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C11H8ClF3N2S.ClH/c1-16-9-8(6-3-2-4-7(12)5-6)17-10(18-9)11(13,14)15;/h2-5,16H,1H3;1H
InChIKeyCMVMMBNKMGHQKD-UHFFFAOYSA-N
MW329.17 g/mol
LogP4.95
Rot. Bonds2

About 4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride

4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride (PubChem CID 175000898) has the molecular formula C11H9Cl2F3N2S and a molecular weight of 329.17 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride
PubChem CID175000898
Molecular FormulaC11H9Cl2F3N2S
Molecular Weight329.17 g/mol
Exact Mass327.98
IUPAC Name4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride
SMILESCNc1sc(C(F)(F)F)nc1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C11H8ClF3N2S.ClH/c1-16-9-8(6-3-2-4-7(12)5-6)17-10(18-9)11(13,14)15;/h2-5,16H,1H3;1H
InChIKeyCMVMMBNKMGHQKD-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride?
The IUPAC name of 4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride (CID 175000898) is 4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride.
What is the SMILES notation for 4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride?
The canonical SMILES for 4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride is CNc1sc(C(F)(F)F)nc1-c1cccc(Cl)c1.Cl.
What is the InChIKey of 4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride?
The InChIKey is CMVMMBNKMGHQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2S.ClH/c1-16-9-8(6-3-2-4-7(12)5-6)17-10(18-9)11(13,14)15;/h2-5,16H,1H3;1H.
What are the key properties of 4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride?
4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride has a molecular weight of 329.17 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride is sourced from PubChem (CID 175000898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).