3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride

C8H12Cl2F3N3OS — CID 168974587

IUPAC3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
SMILESCc1nc(NC(=O)CCN)sc1C(F)(F)F.Cl.Cl
InChIInChI=1S/C8H10F3N3OS.2ClH/c1-4-6(8(9,10)11)16-7(13-4)14-5(15)2-3-12;;/h2-3,12H2,1H3,(H,13,14,15);2*1H
InChIKeyZGXQHQUFOUDAMD-UHFFFAOYSA-N
MW326.17 g/mol
LogP2.60
Rot. Bonds3

About 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride

3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride (PubChem CID 168974587) has the molecular formula C8H12Cl2F3N3OS and a molecular weight of 326.17 g/mol. Its IUPAC name is 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
PubChem CID168974587
Molecular FormulaC8H12Cl2F3N3OS
Molecular Weight326.17 g/mol
Exact Mass325.00
IUPAC Name3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
SMILESCc1nc(NC(=O)CCN)sc1C(F)(F)F.Cl.Cl
InChIInChI=1S/C8H10F3N3OS.2ClH/c1-4-6(8(9,10)11)16-7(13-4)14-5(15)2-3-12;;/h2-3,12H2,1H3,(H,13,14,15);2*1H
InChIKeyZGXQHQUFOUDAMD-UHFFFAOYSA-N
XLogP2.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride (CID 168974587) is 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride is Cc1nc(NC(=O)CCN)sc1C(F)(F)F.Cl.Cl.
What is the InChIKey of 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride?
The InChIKey is ZGXQHQUFOUDAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS.2ClH/c1-4-6(8(9,10)11)16-7(13-4)14-5(15)2-3-12;;/h2-3,12H2,1H3,(H,13,14,15);2*1H.
What are the key properties of 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride?
3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride has a molecular weight of 326.17 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride is sourced from PubChem (CID 168974587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).