(E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide

C15H15N3O3S — CID 9078172

IUPAC(E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
SMILESCc1ccsc1/C=C/C(=O)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C15H15N3O3S/c1-11-7-9-22-12(11)5-6-13(19)16-17-14(20)10-18-8-3-2-4-15(18)21/h2-9H,10H2,1H3,(H,16,19)(H,17,20)/b6-5+
InChIKeyNLBYDAZNTZMOSR-AATRIKPKSA-N
MW317.37 g/mol
LogP1.08
Rot. Bonds4

About (E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide

(E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide (PubChem CID 9078172) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is (E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
PubChem CID9078172
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name(E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
SMILESCc1ccsc1/C=C/C(=O)NNC(=O)Cn1ccccc1=O
InChIInChI=1S/C15H15N3O3S/c1-11-7-9-22-12(11)5-6-13(19)16-17-14(20)10-18-8-3-2-4-15(18)21/h2-9H,10H2,1H3,(H,16,19)(H,17,20)/b6-5+
InChIKeyNLBYDAZNTZMOSR-AATRIKPKSA-N
XLogP1.08
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

(Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide
CID 6141778
(E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078066
2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide
CID 9220828
1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide
CID 73393414
(E)-N'-[2-(2-oxo-1-pyridinyl)acetyl]-3-(4-prop-2-enoxyphenyl)prop-2-enehydrazide
CID 9078045
(E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078335
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078015
(E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 60636518
N-[(2R)-1-hydroxypropan-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 79027874
2,5-dimethyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 9077511
N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 51176255
(E)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 107847318

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide (CID 9078172) is (E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide is Cc1ccsc1/C=C/C(=O)NNC(=O)Cn1ccccc1=O.
What is the InChIKey of (E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide?
The InChIKey is NLBYDAZNTZMOSR-AATRIKPKSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-11-7-9-22-12(11)5-6-13(19)16-17-14(20)10-18-8-3-2-4-15(18)21/h2-9H,10H2,1H3,(H,16,19)(H,17,20)/b6-5+.
What are the key properties of (E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide?
(E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide has a molecular weight of 317.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 9078172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).