N'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide

C9H10N2O2S — CID 118530770

IUPACN'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide
SMILESC=C(C)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C9H10N2O2S/c1-6(2)8(12)10-11-9(13)7-4-3-5-14-7/h3-5H,1H2,2H3,(H,10,12)(H,11,13)
InChIKeyFGIFWYYHEIXHMC-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.09
Rot. Bonds2

About N'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide

N'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide (PubChem CID 118530770) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is N'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide
PubChem CID118530770
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC NameN'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide
SMILESC=C(C)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C9H10N2O2S/c1-6(2)8(12)10-11-9(13)7-4-3-5-14-7/h3-5H,1H2,2H3,(H,10,12)(H,11,13)
InChIKeyFGIFWYYHEIXHMC-UHFFFAOYSA-N
XLogP1.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide (CID 118530770) is N'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide is C=C(C)C(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide?
The InChIKey is FGIFWYYHEIXHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-6(2)8(12)10-11-9(13)7-4-3-5-14-7/h3-5H,1H2,2H3,(H,10,12)(H,11,13).
What are the key properties of N'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide?
N'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide has a molecular weight of 210.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylprop-2-enoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 118530770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).