1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol

C16H17ClN4O2S — CID 167905553

IUPAC1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol
SMILESOCC(O)C1CCCN1c1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C16H17ClN4O2S/c17-11-5-3-10(4-6-11)12-8-21-15(18-12)24-16(19-21)20-7-1-2-13(20)14(23)9-22/h3-6,8,13-14,22-23H,1-2,7,9H2
InChIKeyROIMZRNNEGCJPY-UHFFFAOYSA-N
MW364.86 g/mol
LogP2.43
Rot. Bonds4

About 1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol

1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol (PubChem CID 167905553) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is 1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol
PubChem CID167905553
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC Name1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol
SMILESOCC(O)C1CCCN1c1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C16H17ClN4O2S/c17-11-5-3-10(4-6-11)12-8-21-15(18-12)24-16(19-21)20-7-1-2-13(20)14(23)9-22/h3-6,8,13-14,22-23H,1-2,7,9H2
InChIKeyROIMZRNNEGCJPY-UHFFFAOYSA-N
XLogP2.43
TPSA73.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol?
The IUPAC name of 1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol (CID 167905553) is 1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol?
The canonical SMILES for 1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol is OCC(O)C1CCCN1c1nn2cc(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of 1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol?
The InChIKey is ROIMZRNNEGCJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c17-11-5-3-10(4-6-11)12-8-21-15(18-12)24-16(19-21)20-7-1-2-13(20)14(23)9-22/h3-6,8,13-14,22-23H,1-2,7,9H2.
What are the key properties of 1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol?
1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol has a molecular weight of 364.86 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 167905553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).