(E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine

C23H19N3S2 — CID 90675466

IUPAC(E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccc3ccccc3c2)cs/c1=N\N=C\C=C\c1cccs1
InChIInChI=1S/C23H19N3S2/c1-2-14-26-22(20-12-11-18-7-3-4-8-19(18)16-20)17-28-23(26)25-24-13-5-9-21-10-6-15-27-21/h2-13,15-17H,1,14H2/b9-5+,24-13+,25-23-
InChIKeyNOVVYAANZLQECJ-JGJNBNKASA-N
MW401.56 g/mol
LogP6.22
Rot. Bonds6

About (E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine

(E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine (PubChem CID 90675466) has the molecular formula C23H19N3S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is (E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine
PubChem CID90675466
Molecular FormulaC23H19N3S2
Molecular Weight401.56 g/mol
Exact Mass401.10
IUPAC Name(E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccc3ccccc3c2)cs/c1=N\N=C\C=C\c1cccs1
InChIInChI=1S/C23H19N3S2/c1-2-14-26-22(20-12-11-18-7-3-4-8-19(18)16-20)17-28-23(26)25-24-13-5-9-21-10-6-15-27-21/h2-13,15-17H,1,14H2/b9-5+,24-13+,25-23-
InChIKeyNOVVYAANZLQECJ-JGJNBNKASA-N
XLogP6.22
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.56
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine (CID 90675466) is (E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine is C=CCn1c(-c2ccc3ccccc3c2)cs/c1=N\N=C\C=C\c1cccs1.
What is the InChIKey of (E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine?
The InChIKey is NOVVYAANZLQECJ-JGJNBNKASA-N. The full InChI is InChI=1S/C23H19N3S2/c1-2-14-26-22(20-12-11-18-7-3-4-8-19(18)16-20)17-28-23(26)25-24-13-5-9-21-10-6-15-27-21/h2-13,15-17H,1,14H2/b9-5+,24-13+,25-23-.
What are the key properties of (E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine?
(E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine has a molecular weight of 401.56 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-naphthalen-2-yl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine is sourced from PubChem (CID 90675466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).