(Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile

C15H17N5OS — CID 170147977

IUPAC(Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile
SMILESCc1ncsc1CCOc1cccc(/C(N)=C(\C#N)NN)c1
InChIInChI=1S/C15H17N5OS/c1-10-14(22-9-19-10)5-6-21-12-4-2-3-11(7-12)15(17)13(8-16)20-18/h2-4,7,9,20H,5-6,17-18H2,1H3/b15-13-
InChIKeyAZCJXPLQFCWRRO-SQFISAMPSA-N
MW315.40 g/mol
LogP1.69
Rot. Bonds6

About (Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile

(Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile (PubChem CID 170147977) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is (Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile
PubChem CID170147977
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name(Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile
SMILESCc1ncsc1CCOc1cccc(/C(N)=C(\C#N)NN)c1
InChIInChI=1S/C15H17N5OS/c1-10-14(22-9-19-10)5-6-21-12-4-2-3-11(7-12)15(17)13(8-16)20-18/h2-4,7,9,20H,5-6,17-18H2,1H3/b15-13-
InChIKeyAZCJXPLQFCWRRO-SQFISAMPSA-N
XLogP1.69
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.69
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

3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 62071333
(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-(1,3-thiazol-2-ylmethoxy)phenyl]prop-2-enenitrile
CID 170148001
(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-3-(3-but-2-ynoxyphenyl)-2-hydrazinylprop-2-enenitrile
CID 170147895
1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 62072174
(Z)-3-amino-2-hydrazinyl-3-[3-(thiophen-3-ylmethoxy)phenyl]prop-2-enenitrile
CID 170147919
2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 62946834
(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-methylcyclohexyl)methoxy]phenyl]prop-2-enenitrile
CID 170147982
2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine
CID 63056921
2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 63056913

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile (CID 170147977) is (Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile is Cc1ncsc1CCOc1cccc(/C(N)=C(\C#N)NN)c1.
What is the InChIKey of (Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile?
The InChIKey is AZCJXPLQFCWRRO-SQFISAMPSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-10-14(22-9-19-10)5-6-21-12-4-2-3-11(7-12)15(17)13(8-16)20-18/h2-4,7,9,20H,5-6,17-18H2,1H3/b15-13-.
What are the key properties of (Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile?
(Z)-3-amino-2-hydrazinyl-3-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile has a molecular weight of 315.40 g/mol, XLogP of 1.69, 6 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-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enenitrile is sourced from PubChem (CID 170147977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).