1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one

C12H15F3N4O2S — CID 97353399

IUPAC1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one
SMILESCC[C@H](NCC(=O)N1CCNC1=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H15F3N4O2S/c1-2-7(10-18-8(6-22-10)12(13,14)15)17-5-9(20)19-4-3-16-11(19)21/h6-7,17H,2-5H2,1H3,(H,16,21)/t7-/m0/s1
InChIKeyKQMHXKZGNJGZGW-ZETCQYMHSA-N
MW336.34 g/mol
LogP1.75
Rot. Bonds5

About 1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one

1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one (PubChem CID 97353399) has the molecular formula C12H15F3N4O2S and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one
PubChem CID97353399
Molecular FormulaC12H15F3N4O2S
Molecular Weight336.34 g/mol
Exact Mass336.09
IUPAC Name1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one
SMILESCC[C@H](NCC(=O)N1CCNC1=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H15F3N4O2S/c1-2-7(10-18-8(6-22-10)12(13,14)15)17-5-9(20)19-4-3-16-11(19)21/h6-7,17H,2-5H2,1H3,(H,16,21)/t7-/m0/s1
InChIKeyKQMHXKZGNJGZGW-ZETCQYMHSA-N
XLogP1.75
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one (CID 97353399) is 1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one is CC[C@H](NCC(=O)N1CCNC1=O)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one?
The InChIKey is KQMHXKZGNJGZGW-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H15F3N4O2S/c1-2-7(10-18-8(6-22-10)12(13,14)15)17-5-9(20)19-4-3-16-11(19)21/h6-7,17H,2-5H2,1H3,(H,16,21)/t7-/m0/s1.
What are the key properties of 1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one?
1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one has a molecular weight of 336.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 97353399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).