(E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine

C14H15N3OS — CID 90675483

IUPAC(E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(C)cs/c1=N/N=C/C=C/c1ccco1
InChIInChI=1S/C14H15N3OS/c1-3-9-17-12(2)11-19-14(17)16-15-8-4-6-13-7-5-10-18-13/h3-8,10-11H,1,9H2,2H3/b6-4+,15-8+,16-14+
InChIKeyRUTDCPKKUDNAQN-PIGACANQSA-N
MW273.36 g/mol
LogP3.24
Rot. Bonds5

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

(E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 90675483) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID90675483
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name(E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(C)cs/c1=N/N=C/C=C/c1ccco1
InChIInChI=1S/C14H15N3OS/c1-3-9-17-12(2)11-19-14(17)16-15-8-4-6-13-7-5-10-18-13/h3-8,10-11H,1,9H2,2H3/b6-4+,15-8+,16-14+
InChIKeyRUTDCPKKUDNAQN-PIGACANQSA-N
XLogP3.24
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.24
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)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine (CID 90675483) is (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(C)cs/c1=N/N=C/C=C/c1ccco1.
What is the InChIKey of (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is RUTDCPKKUDNAQN-PIGACANQSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-3-9-17-12(2)11-19-14(17)16-15-8-4-6-13-7-5-10-18-13/h3-8,10-11H,1,9H2,2H3/b6-4+,15-8+,16-14+.
What are the key properties of (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine?
(E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 273.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 90675483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).