5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide

C16H20N2OS2 — CID 63582493

IUPAC5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCC(C)(C)c1ccc(SCc2ccc(C(=O)NN)s2)cc1
InChIInChI=1S/C16H20N2OS2/c1-16(2,3)11-4-6-12(7-5-11)20-10-13-8-9-14(21-13)15(19)18-17/h4-9H,10,17H2,1-3H3,(H,18,19)
InChIKeyPMQYOIWWZROVPV-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.94
Rot. Bonds4

About 5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide

5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide (PubChem CID 63582493) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
PubChem CID63582493
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCC(C)(C)c1ccc(SCc2ccc(C(=O)NN)s2)cc1
InChIInChI=1S/C16H20N2OS2/c1-16(2,3)11-4-6-12(7-5-11)20-10-13-8-9-14(21-13)15(19)18-17/h4-9H,10,17H2,1-3H3,(H,18,19)
InChIKeyPMQYOIWWZROVPV-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-[(4-methylsulfonylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63590993
5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 55212321
5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66216952
5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63580407
methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate
CID 63580305
5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 79147042
5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63580775
5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide
CID 107782850
5-(3-methoxypropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63855802
5-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63582352
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968
5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585226

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide (CID 63582493) is 5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide is CC(C)(C)c1ccc(SCc2ccc(C(=O)NN)s2)cc1.
What is the InChIKey of 5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide?
The InChIKey is PMQYOIWWZROVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-16(2,3)11-4-6-12(7-5-11)20-10-13-8-9-14(21-13)15(19)18-17/h4-9H,10,17H2,1-3H3,(H,18,19).
What are the key properties of 5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide?
5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide has a molecular weight of 320.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63582493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).