[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol

C9H11N3OS3 — CID 107365242

IUPAC[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol
SMILESCN(C)c1nnc(Sc2ccc(CO)s2)s1
InChIInChI=1S/C9H11N3OS3/c1-12(2)8-10-11-9(16-8)15-7-4-3-6(5-13)14-7/h3-4,13H,5H2,1-2H3
InChIKeyDWZKWCWFTVRMND-UHFFFAOYSA-N
MW273.41 g/mol
LogP2.31
Rot. Bonds4

About [5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol

[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol (PubChem CID 107365242) has the molecular formula C9H11N3OS3 and a molecular weight of 273.41 g/mol. Its IUPAC name is [5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol
PubChem CID107365242
Molecular FormulaC9H11N3OS3
Molecular Weight273.41 g/mol
Exact Mass273.01
IUPAC Name[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol
SMILESCN(C)c1nnc(Sc2ccc(CO)s2)s1
InChIInChI=1S/C9H11N3OS3/c1-12(2)8-10-11-9(16-8)15-7-4-3-6(5-13)14-7/h3-4,13H,5H2,1-2H3
InChIKeyDWZKWCWFTVRMND-UHFFFAOYSA-N
XLogP2.31
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol?
The IUPAC name of [5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol (CID 107365242) is [5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol.
What is the SMILES notation for [5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol?
The canonical SMILES for [5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol is CN(C)c1nnc(Sc2ccc(CO)s2)s1.
What is the InChIKey of [5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol?
The InChIKey is DWZKWCWFTVRMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS3/c1-12(2)8-10-11-9(16-8)15-7-4-3-6(5-13)14-7/h3-4,13H,5H2,1-2H3.
What are the key properties of [5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol?
[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol has a molecular weight of 273.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]thiophen-2-yl]methanol is sourced from PubChem (CID 107365242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).