N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide

C18H18N4O4S — CID 35076236

IUPACN'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide
SMILESO=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)NNC(=O)c1ccccn1
InChIInChI=1S/C18H18N4O4S/c23-17(20-21-18(24)16-4-1-2-11-19-16)10-7-14-5-8-15(9-6-14)22-12-3-13-27(22,25)26/h1-2,4-11H,3,12-13H2,(H,20,23)(H,21,24)/b10-7+
InChIKeyBPLDVXDKQCDOOU-JXMROGBWSA-N
MW386.43 g/mol
LogP1.10
Rot. Bonds4

About N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide

N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide (PubChem CID 35076236) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide
PubChem CID35076236
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide
SMILESO=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)NNC(=O)c1ccccn1
InChIInChI=1S/C18H18N4O4S/c23-17(20-21-18(24)16-4-1-2-11-19-16)10-7-14-5-8-15(9-6-14)22-12-3-13-27(22,25)26/h1-2,4-11H,3,12-13H2,(H,20,23)(H,21,24)/b10-7+
InChIKeyBPLDVXDKQCDOOU-JXMROGBWSA-N
XLogP1.10
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.10
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

N'-[3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]-3-nitrobenzohydrazide
CID 55510645
N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9332350
N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide
CID 46556732
3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoic acid
CID 57367642
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methylpropyl)prop-2-enamide
CID 134018006
N-(2-benzylpyrazol-3-yl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enamide
CID 55537547
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide
CID 51333727
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 55538983
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyridin-2-ylbenzamide
CID 18107159
(E)-N-(3,3-dimethylbutyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enamide
CID 34711316
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enamide
CID 51334156
(E)-1-(azepan-1-yl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-en-1-one
CID 31243001

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide (CID 35076236) is N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide is O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)NNC(=O)c1ccccn1.
What is the InChIKey of N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide?
The InChIKey is BPLDVXDKQCDOOU-JXMROGBWSA-N. The full InChI is InChI=1S/C18H18N4O4S/c23-17(20-21-18(24)16-4-1-2-11-19-16)10-7-14-5-8-15(9-6-14)22-12-3-13-27(22,25)26/h1-2,4-11H,3,12-13H2,(H,20,23)(H,21,24)/b10-7+.
What are the key properties of N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide?
N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide has a molecular weight of 386.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 35076236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).