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

C10H13N5OS3 — CID 63736840

IUPAC3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCN(C)c1nnc(SCc2ccsc2C(=O)NN)s1
InChIInChI=1S/C10H13N5OS3/c1-15(2)9-13-14-10(19-9)18-5-6-3-4-17-7(6)8(16)12-11/h3-4H,5,11H2,1-2H3,(H,12,16)
InChIKeyIATWEFITJQTJHM-UHFFFAOYSA-N
MW315.45 g/mol
LogP1.56
Rot. Bonds5

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

3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide (PubChem CID 63736840) has the molecular formula C10H13N5OS3 and a molecular weight of 315.45 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide
PubChem CID63736840
Molecular FormulaC10H13N5OS3
Molecular Weight315.45 g/mol
Exact Mass315.03
IUPAC Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCN(C)c1nnc(SCc2ccsc2C(=O)NN)s1
InChIInChI=1S/C10H13N5OS3/c1-15(2)9-13-14-10(19-9)18-5-6-3-4-17-7(6)8(16)12-11/h3-4H,5,11H2,1-2H3,(H,12,16)
InChIKeyIATWEFITJQTJHM-UHFFFAOYSA-N
XLogP1.56
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640253
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide
CID 63737003
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide
CID 63736656
1-(3-bromothiophen-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 55241250
3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63639235
3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63639574
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid
CID 63739211
3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 79141449
3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63641118
3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640947
methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 63737450
N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 63738165

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide (CID 63736840) is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide is CN(C)c1nnc(SCc2ccsc2C(=O)NN)s1.
What is the InChIKey of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide?
The InChIKey is IATWEFITJQTJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS3/c1-15(2)9-13-14-10(19-9)18-5-6-3-4-17-7(6)8(16)12-11/h3-4H,5,11H2,1-2H3,(H,12,16).
What are the key properties of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide?
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide has a molecular weight of 315.45 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63736840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).