(Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine

C14H15N3S2 — CID 89269770

IUPAC(Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine
SMILESCN1C=CSC1/N=c1\scc(-c2ccccc2)n1C
InChIInChI=1S/C14H15N3S2/c1-16-8-9-18-13(16)15-14-17(2)12(10-19-14)11-6-4-3-5-7-11/h3-10,13H,1-2H3/b15-14-
InChIKeyNEUBQKWPNUKNTF-PFONDFGASA-N
MW289.43 g/mol
LogP3.09
Rot. Bonds2

About (Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine

(Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine (PubChem CID 89269770) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is (Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine
PubChem CID89269770
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC Name(Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine
SMILESCN1C=CSC1/N=c1\scc(-c2ccccc2)n1C
InChIInChI=1S/C14H15N3S2/c1-16-8-9-18-13(16)15-14-17(2)12(10-19-14)11-6-4-3-5-7-11/h3-10,13H,1-2H3/b15-14-
InChIKeyNEUBQKWPNUKNTF-PFONDFGASA-N
XLogP3.09
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of (Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine (CID 89269770) is (Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine is CN1C=CSC1/N=c1\scc(-c2ccccc2)n1C.
What is the InChIKey of (Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is NEUBQKWPNUKNTF-PFONDFGASA-N. The full InChI is InChI=1S/C14H15N3S2/c1-16-8-9-18-13(16)15-14-17(2)12(10-19-14)11-6-4-3-5-7-11/h3-10,13H,1-2H3/b15-14-.
What are the key properties of (Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine?
(Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 289.43 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 89269770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).