(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile

C13H13N5OS — CID 170148001

IUPAC(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1cccc(OCc2nccs2)c1
InChIInChI=1S/C13H13N5OS/c14-7-11(18-16)13(15)9-2-1-3-10(6-9)19-8-12-17-4-5-20-12/h1-6,18H,8,15-16H2/b13-11-
InChIKeyKFKBZDHNAFWDKK-QBFSEMIESA-N
MW287.35 g/mol
LogP1.34
Rot. Bonds5

About (Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile

(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile (PubChem CID 170148001) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is (Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile
PubChem CID170148001
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1cccc(OCc2nccs2)c1
InChIInChI=1S/C13H13N5OS/c14-7-11(18-16)13(15)9-2-1-3-10(6-9)19-8-12-17-4-5-20-12/h1-6,18H,8,15-16H2/b13-11-
InChIKeyKFKBZDHNAFWDKK-QBFSEMIESA-N
XLogP1.34
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-5-ylmethoxy)phenyl]prop-2-enenitrile
CID 170148066
(Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile
CID 170147919
(Z)-3-amino-3-(3-but-2-ynoxyphenyl)-2-hydrazinylprop-2-enenitrile
CID 170147895
(Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile
CID 170147977
(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-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile
CID 170148040
(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-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]prop-2-enenitrile
CID 170148018
(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-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enenitrile
CID 170147683
(Z)-3-amino-2-hydrazinyl-3-[3-(2-phenoxyphenyl)phenyl]prop-2-enenitrile
CID 170147796
(Z)-3-amino-3-[3-[(4-chloro-2-fluorophenoxy)methyl]phenyl]-2-hydrazinylprop-2-enenitrile
CID 170147884

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile (CID 170148001) is (Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile is N#C/C(NN)=C(/N)c1cccc(OCc2nccs2)c1.
What is the InChIKey of (Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile?
The InChIKey is KFKBZDHNAFWDKK-QBFSEMIESA-N. The full InChI is InChI=1S/C13H13N5OS/c14-7-11(18-16)13(15)9-2-1-3-10(6-9)19-8-12-17-4-5-20-12/h1-6,18H,8,15-16H2/b13-11-.
What are the key properties of (Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile?
(Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile has a molecular weight of 287.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-hydrazinyl-3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile is sourced from PubChem (CID 170148001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).