(Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile

C14H14N4OS — CID 170147919

IUPAC(Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1cccc(OCc2ccsc2)c1
InChIInChI=1S/C14H14N4OS/c15-7-13(18-17)14(16)11-2-1-3-12(6-11)19-8-10-4-5-20-9-10/h1-6,9,18H,8,16-17H2/b14-13-
InChIKeyNJHYPMSPPXOHKF-YPKPFQOOSA-N
MW286.36 g/mol
LogP1.94
Rot. Bonds5

About (Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile

(Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile (PubChem CID 170147919) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is (Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile
PubChem CID170147919
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name(Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1cccc(OCc2ccsc2)c1
InChIInChI=1S/C14H14N4OS/c15-7-13(18-17)14(16)11-2-1-3-12(6-11)19-8-10-4-5-20-9-10/h1-6,9,18H,8,16-17H2/b14-13-
InChIKeyNJHYPMSPPXOHKF-YPKPFQOOSA-N
XLogP1.94
TPSA97.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile
CID 170148001
(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-5-ylmethoxy)phenyl]prop-2-enenitrile
CID 170148066
(Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile
CID 170148040
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208
(Z)-3-amino-3-(3-but-2-ynoxyphenyl)-2-hydrazinylprop-2-enenitrile
CID 170147895
(Z)-3-amino-3-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2-hydrazinylprop-2-enenitrile
CID 170148061
(Z)-3-amino-2-hydrazinyl-3-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile
CID 170148018
(Z)-3-amino-2-hydrazinyl-3-[3-[(4-methylcyclohexyl)methoxy]phenyl]prop-2-enenitrile
CID 170147982
(Z)-3-amino-2-hydrazinyl-3-[3-[(5-hydroxynaphthalen-1-yl)oxymethyl]phenyl]prop-2-enenitrile
CID 170147862
(Z)-3-amino-2-hydrazinyl-3-[3-[(2-methylindazol-3-yl)methoxy]phenyl]prop-2-enenitrile
CID 170148044
(Z)-3-amino-2-hydrazinyl-3-[3-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile
CID 170147683
(Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile
CID 170147977

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile (CID 170147919) is (Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile is N#C/C(NN)=C(/N)c1cccc(OCc2ccsc2)c1.
What is the InChIKey of (Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile?
The InChIKey is NJHYPMSPPXOHKF-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H14N4OS/c15-7-13(18-17)14(16)11-2-1-3-12(6-11)19-8-10-4-5-20-9-10/h1-6,9,18H,8,16-17H2/b14-13-.
What are the key properties of (Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile?
(Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile has a molecular weight of 286.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile is sourced from PubChem (CID 170147919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).