[3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol

C14H11ClN2OS2 — CID 10111805

IUPAC[3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
SMILESOCC1=C(c2cc3cccc(Cl)c3s2)N2CCN=C2S1
InChIInChI=1S/C14H11ClN2OS2/c15-9-3-1-2-8-6-10(19-13(8)9)12-11(7-18)20-14-16-4-5-17(12)14/h1-3,6,18H,4-5,7H2
InChIKeyAGVZOWWLFAJBCP-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.63
Rot. Bonds2

About [3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol

[3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol (PubChem CID 10111805) has the molecular formula C14H11ClN2OS2 and a molecular weight of 322.84 g/mol. Its IUPAC name is [3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol.

Molecular Properties

Compound Name[3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
PubChem CID10111805
Molecular FormulaC14H11ClN2OS2
Molecular Weight322.84 g/mol
Exact Mass322.00
IUPAC Name[3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
SMILESOCC1=C(c2cc3cccc(Cl)c3s2)N2CCN=C2S1
InChIInChI=1S/C14H11ClN2OS2/c15-9-3-1-2-8-6-10(19-13(8)9)12-11(7-18)20-14-16-4-5-17(12)14/h1-3,6,18H,4-5,7H2
InChIKeyAGVZOWWLFAJBCP-UHFFFAOYSA-N
XLogP3.63
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The IUPAC name of [3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol (CID 10111805) is [3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol.
What is the SMILES notation for [3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The canonical SMILES for [3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol is OCC1=C(c2cc3cccc(Cl)c3s2)N2CCN=C2S1.
What is the InChIKey of [3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
The InChIKey is AGVZOWWLFAJBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS2/c15-9-3-1-2-8-6-10(19-13(8)9)12-11(7-18)20-14-16-4-5-17(12)14/h1-3,6,18H,4-5,7H2.
What are the key properties of [3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol?
[3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol has a molecular weight of 322.84 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(7-chloro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol is sourced from PubChem (CID 10111805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).