3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol

C11H15N3O2S — CID 82245188

IUPAC3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol
SMILESOCC(O)CSc1ncccc1C1=NCCN1
InChIInChI=1S/C11H15N3O2S/c15-6-8(16)7-17-11-9(2-1-3-14-11)10-12-4-5-13-10/h1-3,8,15-16H,4-7H2,(H,12,13)
InChIKeyUZYVCYYTXSZFAZ-UHFFFAOYSA-N
MW253.33 g/mol
LogP-0.12
Rot. Bonds5

About 3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol

3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol (PubChem CID 82245188) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol
PubChem CID82245188
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol
SMILESOCC(O)CSc1ncccc1C1=NCCN1
InChIInChI=1S/C11H15N3O2S/c15-6-8(16)7-17-11-9(2-1-3-14-11)10-12-4-5-13-10/h1-3,8,15-16H,4-7H2,(H,12,13)
InChIKeyUZYVCYYTXSZFAZ-UHFFFAOYSA-N
XLogP-0.12
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol?
The IUPAC name of 3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol (CID 82245188) is 3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol is OCC(O)CSc1ncccc1C1=NCCN1.
What is the InChIKey of 3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol?
The InChIKey is UZYVCYYTXSZFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c15-6-8(16)7-17-11-9(2-1-3-14-11)10-12-4-5-13-10/h1-3,8,15-16H,4-7H2,(H,12,13).
What are the key properties of 3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol?
3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol has a molecular weight of 253.33 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]sulfanyl]propane-1,2-diol is sourced from PubChem (CID 82245188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).