(E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine

C17H15N3S2 — CID 90675448

IUPAC(E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccccc2)cs/c1=N/N=C/c1cccs1
InChIInChI=1S/C17H15N3S2/c1-2-10-20-16(14-7-4-3-5-8-14)13-22-17(20)19-18-12-15-9-6-11-21-15/h2-9,11-13H,1,10H2/b18-12+,19-17+
InChIKeyRZUUGPVNVWHKAQ-WPQXUMJZSA-N
MW325.46 g/mol
LogP4.40
Rot. Bonds5

About (E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine

(E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 90675448) has the molecular formula C17H15N3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is (E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID90675448
Molecular FormulaC17H15N3S2
Molecular Weight325.46 g/mol
Exact Mass325.07
IUPAC Name(E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccccc2)cs/c1=N/N=C/c1cccs1
InChIInChI=1S/C17H15N3S2/c1-2-10-20-16(14-7-4-3-5-8-14)13-22-17(20)19-18-12-15-9-6-11-21-15/h2-9,11-13H,1,10H2/b18-12+,19-17+
InChIKeyRZUUGPVNVWHKAQ-WPQXUMJZSA-N
XLogP4.40
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.40
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_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-3-benzyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 5611304
(E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675446
(E)-4-(4-chlorophenyl)-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 90675456
5-Thiophen-2-yl-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10060780
(E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675445
(E)-4-phenyl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine
CID 90675449
(E)-4-(4-chlorophenyl)-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine;hydrobromide
CID 90675459
(E)-4-(4-bromophenyl)-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine
CID 90675461
(E)-4-(4-chlorophenyl)-3-prop-2-enyl-N-[(E)-[(2E,4E)-5-thiophen-2-ylpenta-2,4-dienylidene]amino]-1,3-thiazol-2-imine;hydrobromide
CID 90675464
(E)-4-(4-chlorophenyl)-3-prop-2-enyl-N-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 90675490
(E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6903342
(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6906386

Frequently Asked Questions

What is the IUPAC name of (E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine (CID 90675448) is (E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine is C=CCn1c(-c2ccccc2)cs/c1=N/N=C/c1cccs1.
What is the InChIKey of (E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is RZUUGPVNVWHKAQ-WPQXUMJZSA-N. The full InChI is InChI=1S/C17H15N3S2/c1-2-10-20-16(14-7-4-3-5-8-14)13-22-17(20)19-18-12-15-9-6-11-21-15/h2-9,11-13H,1,10H2/b18-12+,19-17+.
What are the key properties of (E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine?
(E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 325.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 90675448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).