2-(1,3-thiazol-2-yl)prop-2-enehydrazide

C6H7N3OS — CID 146268564

IUPAC2-(1,3-thiazol-2-yl)prop-2-enehydrazide
SMILESC=C(C(=O)NN)c1nccs1
InChIInChI=1S/C6H7N3OS/c1-4(5(10)9-7)6-8-2-3-11-6/h2-3H,1,7H2,(H,9,10)
InChIKeyPQVJTGZCDWSZNS-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.15
Rot. Bonds2

About 2-(1,3-thiazol-2-yl)prop-2-enehydrazide

2-(1,3-thiazol-2-yl)prop-2-enehydrazide (PubChem CID 146268564) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)prop-2-enehydrazide.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)prop-2-enehydrazide
PubChem CID146268564
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name2-(1,3-thiazol-2-yl)prop-2-enehydrazide
SMILESC=C(C(=O)NN)c1nccs1
InChIInChI=1S/C6H7N3OS/c1-4(5(10)9-7)6-8-2-3-11-6/h2-3H,1,7H2,(H,9,10)
InChIKeyPQVJTGZCDWSZNS-UHFFFAOYSA-N
XLogP0.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-[2-(1,3-thiazol-2-yl)prop-2-enyl] N-aminocarbamothioate
CID 163977382
CID 69459233
CID 69459233
N-(aminomethyl)-1,3-thiazole-2-carboxamide
CID 123824838
potassium;hydride;1,3-thiazole-2-carboxylic acid
CID 174946287
2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one
CID 19810433
carbanide;1,3-thiazole-2-carbonylazanide;tungsten(2+)
CID 178117150
hydroxymethyl 1,3-thiazole-2-carboxylate
CID 145074713
2-chloro-1-(1,3-thiazol-2-yl)ethanone
CID 22498777
(E)-3-hydroxy-1-(1,3-thiazol-2-yl)prop-2-en-1-one
CID 64993709
1,3-diamino-1-(1,3-thiazol-2-yl)urea
CID 90009382
(Z)-2-(1,3-thiazol-2-yl)but-2-enediamide
CID 134348804
4,4-difluoro-1-(1,3-thiazol-2-yl)butane-1,3-dione
CID 64993249

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)prop-2-enehydrazide?
The IUPAC name of 2-(1,3-thiazol-2-yl)prop-2-enehydrazide (CID 146268564) is 2-(1,3-thiazol-2-yl)prop-2-enehydrazide.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)prop-2-enehydrazide?
The canonical SMILES for 2-(1,3-thiazol-2-yl)prop-2-enehydrazide is C=C(C(=O)NN)c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)prop-2-enehydrazide?
The InChIKey is PQVJTGZCDWSZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c1-4(5(10)9-7)6-8-2-3-11-6/h2-3H,1,7H2,(H,9,10).
What are the key properties of 2-(1,3-thiazol-2-yl)prop-2-enehydrazide?
2-(1,3-thiazol-2-yl)prop-2-enehydrazide has a molecular weight of 169.21 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)prop-2-enehydrazide is sourced from PubChem (CID 146268564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).