1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol

C12H10N2OS2 — CID 55184370

IUPAC1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol
SMILESCC(O)c1nc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C12H10N2OS2/c1-7(15)11-14-9(6-16-11)12-13-8-4-2-3-5-10(8)17-12/h2-7,15H,1H3
InChIKeyXKIOVRGQYNEISU-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.47
Rot. Bonds2

About 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol

1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol (PubChem CID 55184370) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol
PubChem CID55184370
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC Name1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol
SMILESCC(O)c1nc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C12H10N2OS2/c1-7(15)11-14-9(6-16-11)12-13-8-4-2-3-5-10(8)17-12/h2-7,15H,1H3
InChIKeyXKIOVRGQYNEISU-UHFFFAOYSA-N
XLogP3.47
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol (CID 55184370) is 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol is CC(O)c1nc(-c2nc3ccccc3s2)cs1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is XKIOVRGQYNEISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c1-7(15)11-14-9(6-16-11)12-13-8-4-2-3-5-10(8)17-12/h2-7,15H,1H3.
What are the key properties of 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol?
1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 262.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 55184370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).