4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol

C16H15N3OS — CID 99897451

IUPAC4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol
SMILESOc1ccc([C@H]2[C@@H](c3ccccn3)N=C3SCCN32)cc1
InChIInChI=1S/C16H15N3OS/c20-12-6-4-11(5-7-12)15-14(13-3-1-2-8-17-13)18-16-19(15)9-10-21-16/h1-8,14-15,20H,9-10H2/t14-,15+/m1/s1
InChIKeyPPVSNSJETPLQFG-CABCVRRESA-N
MW297.38 g/mol
LogP2.99
Rot. Bonds2

About 4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol

4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol (PubChem CID 99897451) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol
PubChem CID99897451
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol
SMILESOc1ccc([C@H]2[C@@H](c3ccccn3)N=C3SCCN32)cc1
InChIInChI=1S/C16H15N3OS/c20-12-6-4-11(5-7-12)15-14(13-3-1-2-8-17-13)18-16-19(15)9-10-21-16/h1-8,14-15,20H,9-10H2/t14-,15+/m1/s1
InChIKeyPPVSNSJETPLQFG-CABCVRRESA-N
XLogP2.99
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol?
The IUPAC name of 4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol (CID 99897451) is 4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol.
What is the SMILES notation for 4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol?
The canonical SMILES for 4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol is Oc1ccc([C@H]2[C@@H](c3ccccn3)N=C3SCCN32)cc1.
What is the InChIKey of 4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol?
The InChIKey is PPVSNSJETPLQFG-CABCVRRESA-N. The full InChI is InChI=1S/C16H15N3OS/c20-12-6-4-11(5-7-12)15-14(13-3-1-2-8-17-13)18-16-19(15)9-10-21-16/h1-8,14-15,20H,9-10H2/t14-,15+/m1/s1.
What are the key properties of 4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol?
4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol has a molecular weight of 297.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S,6S)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl]phenol is sourced from PubChem (CID 99897451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).