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

C10H12N4OS3 — CID 80746056

IUPAC5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCc1nnc(SCc2cc(C(=O)NN)sc2C)s1
InChIInChI=1S/C10H12N4OS3/c1-5-7(3-8(17-5)9(15)12-11)4-16-10-14-13-6(2)18-10/h3H,4,11H2,1-2H3,(H,12,15)
InChIKeyYMOIMHFLSFYQAT-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.11
Rot. Bonds4

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

5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide (PubChem CID 80746056) has the molecular formula C10H12N4OS3 and a molecular weight of 300.43 g/mol. Its IUPAC name is 5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
PubChem CID80746056
Molecular FormulaC10H12N4OS3
Molecular Weight300.43 g/mol
Exact Mass300.02
IUPAC Name5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCc1nnc(SCc2cc(C(=O)NN)sc2C)s1
InChIInChI=1S/C10H12N4OS3/c1-5-7(3-8(17-5)9(15)12-11)4-16-10-14-13-6(2)18-10/h3H,4,11H2,1-2H3,(H,12,15)
InChIKeyYMOIMHFLSFYQAT-UHFFFAOYSA-N
XLogP2.11
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-[(2-amino-4-chlorophenyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide
CID 80746059
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-5-methylthiophene-2-carbohydrazide
CID 80745366
3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581971
5-methyl-4-[(4-nitrophenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 80733625
5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide
CID 80734538
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62465954
methyl 2-[1-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methylsulfanylmethyl]cyclopropyl]acetate
CID 107778289
4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80745244
2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide
CID 80734339
4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline
CID 79583319
5-methyl-4-(piperidin-1-ylmethyl)thiophene-2-carbohydrazide
CID 80733368
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733660

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide (CID 80746056) is 5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide is Cc1nnc(SCc2cc(C(=O)NN)sc2C)s1.
What is the InChIKey of 5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
The InChIKey is YMOIMHFLSFYQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS3/c1-5-7(3-8(17-5)9(15)12-11)4-16-10-14-13-6(2)18-10/h3H,4,11H2,1-2H3,(H,12,15).
What are the key properties of 5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide has a molecular weight of 300.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 80746056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).