N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

C15H16N2O2S2 — CID 3119755

IUPACN'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2csc3c2CCCC3)cs1
InChIInChI=1S/C15H16N2O2S2/c1-9-6-10(7-20-9)14(18)16-17-15(19)12-8-21-13-5-3-2-4-11(12)13/h6-8H,2-5H2,1H3,(H,16,18)(H,17,19)
InChIKeyBYXDGTIPNNNWJN-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.07
Rot. Bonds2

About N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide (PubChem CID 3119755) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
PubChem CID3119755
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC NameN'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2csc3c2CCCC3)cs1
InChIInChI=1S/C15H16N2O2S2/c1-9-6-10(7-20-9)14(18)16-17-15(19)12-8-21-13-5-3-2-4-11(12)13/h6-8H,2-5H2,1H3,(H,16,18)(H,17,19)
InChIKeyBYXDGTIPNNNWJN-UHFFFAOYSA-N
XLogP3.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide?
The IUPAC name of N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide (CID 3119755) is N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide.
What is the SMILES notation for N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide?
The canonical SMILES for N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2csc3c2CCCC3)cs1.
What is the InChIKey of N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide?
The InChIKey is BYXDGTIPNNNWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-9-6-10(7-20-9)14(18)16-17-15(19)12-8-21-13-5-3-2-4-11(12)13/h6-8H,2-5H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide?
N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide has a molecular weight of 320.44 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide is sourced from PubChem (CID 3119755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).