(4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride

C11H16ClF3N4O2S — CID 172594749

IUPAC(4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride
SMILESCOCCC(c1cnc(N)s1)N1C[C@@H](C(F)(F)F)NC1=O.Cl
InChIInChI=1S/C11H15F3N4O2S.ClH/c1-20-3-2-6(7-4-16-9(15)21-7)18-5-8(11(12,13)14)17-10(18)19;/h4,6,8H,2-3,5H2,1H3,(H2,15,16)(H,17,19);1H/t6?,8-;/m0./s1
InChIKeyGROLMHRMRVGWGL-JLMZJVTKSA-N
MW360.79 g/mol
LogP2.18
Rot. Bonds5

About (4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride

(4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride (PubChem CID 172594749) has the molecular formula C11H16ClF3N4O2S and a molecular weight of 360.79 g/mol. Its IUPAC name is (4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride
PubChem CID172594749
Molecular FormulaC11H16ClF3N4O2S
Molecular Weight360.79 g/mol
Exact Mass360.06
IUPAC Name(4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride
SMILESCOCCC(c1cnc(N)s1)N1C[C@@H](C(F)(F)F)NC1=O.Cl
InChIInChI=1S/C11H15F3N4O2S.ClH/c1-20-3-2-6(7-4-16-9(15)21-7)18-5-8(11(12,13)14)17-10(18)19;/h4,6,8H,2-3,5H2,1H3,(H2,15,16)(H,17,19);1H/t6?,8-;/m0./s1
InChIKeyGROLMHRMRVGWGL-JLMZJVTKSA-N
XLogP2.18
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride?
The IUPAC name of (4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride (CID 172594749) is (4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride.
What is the SMILES notation for (4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride?
The canonical SMILES for (4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride is COCCC(c1cnc(N)s1)N1C[C@@H](C(F)(F)F)NC1=O.Cl.
What is the InChIKey of (4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride?
The InChIKey is GROLMHRMRVGWGL-JLMZJVTKSA-N. The full InChI is InChI=1S/C11H15F3N4O2S.ClH/c1-20-3-2-6(7-4-16-9(15)21-7)18-5-8(11(12,13)14)17-10(18)19;/h4,6,8H,2-3,5H2,1H3,(H2,15,16)(H,17,19);1H/t6?,8-;/m0./s1.
What are the key properties of (4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride?
(4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride has a molecular weight of 360.79 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[1-(2-amino-1,3-thiazol-5-yl)-3-methoxypropyl]-4-(trifluoromethyl)imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 172594749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).