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

C15H13N3S2 — CID 6903342

IUPAC(E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccsc1
InChIInChI=1S/C15H13N3S2/c1-16-15-18(17-9-12-7-8-19-10-12)14(11-20-15)13-5-3-2-4-6-13/h2-11H,1H3/b16-15-,17-9+
InChIKeyDAPRFHOMIGZPCI-BULSJCKZSA-N
MW299.42 g/mol
LogP3.69
Rot. Bonds3

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

(E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 6903342) has the molecular formula C15H13N3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is (E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID6903342
Molecular FormulaC15H13N3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC Name(E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2)n1/N=C/c1ccsc1
InChIInChI=1S/C15H13N3S2/c1-16-15-18(17-9-12-7-8-19-10-12)14(11-20-15)13-5-3-2-4-6-13/h2-11H,1H3/b16-15-,17-9+
InChIKeyDAPRFHOMIGZPCI-BULSJCKZSA-N
XLogP3.69
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine (CID 6903342) is (E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccccc2)n1/N=C/c1ccsc1.
What is the InChIKey of (E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is DAPRFHOMIGZPCI-BULSJCKZSA-N. The full InChI is InChI=1S/C15H13N3S2/c1-16-15-18(17-9-12-7-8-19-10-12)14(11-20-15)13-5-3-2-4-6-13/h2-11H,1H3/b16-15-,17-9+.
What are the key properties of (E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine?
(E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 299.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6903342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).