N'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide

C14H18N4OS2 — CID 143634440

IUPACN'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide
SMILESC=C(CC(=O)NN(C)c1cccs1)NN(C)c1cccs1
InChIInChI=1S/C14H18N4OS2/c1-11(15-17(2)13-6-4-8-20-13)10-12(19)16-18(3)14-7-5-9-21-14/h4-9,15H,1,10H2,2-3H3,(H,16,19)
InChIKeyBQUNKFXJKYPWTB-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.82
Rot. Bonds7

About N'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide

N'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide (PubChem CID 143634440) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide.

Molecular Properties

Compound NameN'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide
PubChem CID143634440
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC NameN'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide
SMILESC=C(CC(=O)NN(C)c1cccs1)NN(C)c1cccs1
InChIInChI=1S/C14H18N4OS2/c1-11(15-17(2)13-6-4-8-20-13)10-12(19)16-18(3)14-7-5-9-21-14/h4-9,15H,1,10H2,2-3H3,(H,16,19)
InChIKeyBQUNKFXJKYPWTB-UHFFFAOYSA-N
XLogP2.82
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide?
The IUPAC name of N'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide (CID 143634440) is N'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide.
What is the SMILES notation for N'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide?
The canonical SMILES for N'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide is C=C(CC(=O)NN(C)c1cccs1)NN(C)c1cccs1.
What is the InChIKey of N'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide?
The InChIKey is BQUNKFXJKYPWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-11(15-17(2)13-6-4-8-20-13)10-12(19)16-18(3)14-7-5-9-21-14/h4-9,15H,1,10H2,2-3H3,(H,16,19).
What are the key properties of N'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide?
N'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide has a molecular weight of 322.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-(2-methyl-2-thiophen-2-ylhydrazinyl)-N'-thiophen-2-ylbut-3-enehydrazide is sourced from PubChem (CID 143634440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).