1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol

C9H9NOS2 — CID 127003876

IUPAC1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol
SMILESCC(O)(c1ccsc1)c1ccsn1
InChIInChI=1S/C9H9NOS2/c1-9(11,7-2-4-12-6-7)8-3-5-13-10-8/h2-6,11H,1H3
InChIKeyWODVMFNQDUBBOW-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.46
Rot. Bonds2

About 1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol

1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol (PubChem CID 127003876) has the molecular formula C9H9NOS2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol
PubChem CID127003876
Molecular FormulaC9H9NOS2
Molecular Weight211.31 g/mol
Exact Mass211.01
IUPAC Name1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol
SMILESCC(O)(c1ccsc1)c1ccsn1
InChIInChI=1S/C9H9NOS2/c1-9(11,7-2-4-12-6-7)8-3-5-13-10-8/h2-6,11H,1H3
InChIKeyWODVMFNQDUBBOW-UHFFFAOYSA-N
XLogP2.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,2-Thiazol-3-yl)thiolan-3-ol
CID 126985770
1-(3-Methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol
CID 127003878
5-Methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130604949
(2-Chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 130606658
(2-Methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 130631086
2-Methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130655610
(3-Ethylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130736495
1-(1,2-Thiazol-5-yl)-1-thiophen-3-ylethanol
CID 130942822
1-(3-Methylthiophen-2-yl)-1-(1,2-thiazol-3-yl)ethanol
CID 130965084
(4-Methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 131033823
(5-Iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 131122860

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol?
The IUPAC name of 1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol (CID 127003876) is 1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol.
What is the SMILES notation for 1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol?
The canonical SMILES for 1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol is CC(O)(c1ccsc1)c1ccsn1.
What is the InChIKey of 1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol?
The InChIKey is WODVMFNQDUBBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS2/c1-9(11,7-2-4-12-6-7)8-3-5-13-10-8/h2-6,11H,1H3.
What are the key properties of 1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol?
1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol has a molecular weight of 211.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-thiazol-3-yl)-1-thiophen-3-ylethanol is sourced from PubChem (CID 127003876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).