5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid

C10H11N3O2S3 — CID 63739211

IUPAC5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid
SMILESCN(C)c1nnc(SCc2ccc(C(=O)O)s2)s1
InChIInChI=1S/C10H11N3O2S3/c1-13(2)9-11-12-10(18-9)16-5-6-3-4-7(17-6)8(14)15/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyQRXWIOORUIKZEN-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.66
Rot. Bonds5

About 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid

5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid (PubChem CID 63739211) has the molecular formula C10H11N3O2S3 and a molecular weight of 301.42 g/mol. Its IUPAC name is 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid
PubChem CID63739211
Molecular FormulaC10H11N3O2S3
Molecular Weight301.42 g/mol
Exact Mass301.00
IUPAC Name5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid
SMILESCN(C)c1nnc(SCc2ccc(C(=O)O)s2)s1
InChIInChI=1S/C10H11N3O2S3/c1-13(2)9-11-12-10(18-9)16-5-6-3-4-7(17-6)8(14)15/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyQRXWIOORUIKZEN-UHFFFAOYSA-N
XLogP2.66
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophen-3-yl]prop-2-enoic acid
CID 77004764
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-2-methoxybenzoic acid
CID 106794286
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylpropan-1-one
CID 115659222
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide
CID 63736840
3-[4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]prop-2-yn-1-ol
CID 63737154
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide
CID 122154306
1-(3-bromothiophen-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 55241250
5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid
CID 28914831
1-(1,3-benzodioxol-5-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 63737830
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide
CID 63736656
5-[(6-chloropyridazin-3-yl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 104514387
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one
CID 63737311

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid (CID 63739211) is 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid is CN(C)c1nnc(SCc2ccc(C(=O)O)s2)s1.
What is the InChIKey of 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid?
The InChIKey is QRXWIOORUIKZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S3/c1-13(2)9-11-12-10(18-9)16-5-6-3-4-7(17-6)8(14)15/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid?
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid has a molecular weight of 301.42 g/mol, XLogP of 2.66, 5 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]sulfanylmethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63739211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).