2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol

C8H8N2OS2 — CID 130550167

IUPAC2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol
SMILESOC(Cc1csnn1)c1ccsc1
InChIInChI=1S/C8H8N2OS2/c11-8(6-1-2-12-4-6)3-7-5-13-10-9-7/h1-2,4-5,8,11H,3H2
InChIKeyCCASZKRVIZMROL-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.88
Rot. Bonds3

About 2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol

2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol (PubChem CID 130550167) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol
PubChem CID130550167
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol
SMILESOC(Cc1csnn1)c1ccsc1
InChIInChI=1S/C8H8N2OS2/c11-8(6-1-2-12-4-6)3-7-5-13-10-9-7/h1-2,4-5,8,11H,3H2
InChIKeyCCASZKRVIZMROL-UHFFFAOYSA-N
XLogP1.88
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-1-thiophen-3-ylethanol
CID 60797618
2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol
CID 64785813
2-(3,5-difluorophenyl)-1-thiophen-3-ylethanol
CID 65099650
5-methyl-1-thiophen-3-ylhexan-1-ol
CID 83158063
3-amino-1-thiophen-3-ylpropan-1-ol
CID 65185005
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanol
CID 62606491
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
CID 64565518
N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine
CID 105153904
3-methoxy-1-thiophen-3-ylpropan-1-ol
CID 62608736
1-thiophen-3-ylethanol
CID 12744375
(1S)-1-thiophen-3-ylethanol
CID 11297979
2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66065568

Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol (CID 130550167) is 2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol is OC(Cc1csnn1)c1ccsc1.
What is the InChIKey of 2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol?
The InChIKey is CCASZKRVIZMROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c11-8(6-1-2-12-4-6)3-7-5-13-10-9-7/h1-2,4-5,8,11H,3H2.
What are the key properties of 2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol?
2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol has a molecular weight of 212.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-4-yl)-1-thiophen-3-ylethanol is sourced from PubChem (CID 130550167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).