[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine

C13H13N5S3 — CID 115383671

IUPAC[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine
SMILESCSc1nnc(SCc2cc3ccccc3nc2NN)s1
InChIInChI=1S/C13H13N5S3/c1-19-12-17-18-13(21-12)20-7-9-6-8-4-2-3-5-10(8)15-11(9)16-14/h2-6H,7,14H2,1H3,(H,15,16)
InChIKeyBWERMMYYMJIHFS-UHFFFAOYSA-N
MW335.48 g/mol
LogP3.39
Rot. Bonds5

About [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine

[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine (PubChem CID 115383671) has the molecular formula C13H13N5S3 and a molecular weight of 335.48 g/mol. Its IUPAC name is [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine.

Molecular Properties

Compound Name[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine
PubChem CID115383671
Molecular FormulaC13H13N5S3
Molecular Weight335.48 g/mol
Exact Mass335.03
IUPAC Name[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine
SMILESCSc1nnc(SCc2cc3ccccc3nc2NN)s1
InChIInChI=1S/C13H13N5S3/c1-19-12-17-18-13(21-12)20-7-9-6-8-4-2-3-5-10(8)15-11(9)16-14/h2-6H,7,14H2,1H3,(H,15,16)
InChIKeyBWERMMYYMJIHFS-UHFFFAOYSA-N
XLogP3.39
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62252880
2-methylsulfanyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 47095910
[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine
CID 115383212
[3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 107782372
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine
CID 112664442
[3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62250641
N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine
CID 62188972
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62465954
1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzo[f]chromen-3-one
CID 2669083
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 115987394
[3-(thiophen-2-ylmethoxymethyl)quinolin-2-yl]hydrazine
CID 62246558
3-[(2-bromophenyl)sulfanylmethyl]-N-methylquinolin-2-amine
CID 63487095

Frequently Asked Questions

What is the IUPAC name of [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine?
The IUPAC name of [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine (CID 115383671) is [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine.
What is the SMILES notation for [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine?
The canonical SMILES for [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine is CSc1nnc(SCc2cc3ccccc3nc2NN)s1.
What is the InChIKey of [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine?
The InChIKey is BWERMMYYMJIHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S3/c1-19-12-17-18-13(21-12)20-7-9-6-8-4-2-3-5-10(8)15-11(9)16-14/h2-6H,7,14H2,1H3,(H,15,16).
What are the key properties of [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine?
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine has a molecular weight of 335.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine is sourced from PubChem (CID 115383671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).