3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine

C18H18N4S — CID 3399702

IUPAC3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine
SMILESCCn1c(C)cs/c1=N\c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C18H18N4S/c1-3-22-14(2)13-23-18(22)19-15-9-11-17(12-10-15)21-20-16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/b19-18-,21-20+
InChIKeySFTCEKYJYPUVRO-DCOWGZKISA-N
MW322.44 g/mol
LogP5.53
Rot. Bonds4

About 3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine

3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine (PubChem CID 3399702) has the molecular formula C18H18N4S and a molecular weight of 322.44 g/mol. Its IUPAC name is 3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine
PubChem CID3399702
Molecular FormulaC18H18N4S
Molecular Weight322.44 g/mol
Exact Mass322.13
IUPAC Name3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine
SMILESCCn1c(C)cs/c1=N\c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C18H18N4S/c1-3-22-14(2)13-23-18(22)19-15-9-11-17(12-10-15)21-20-16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/b19-18-,21-20+
InChIKeySFTCEKYJYPUVRO-DCOWGZKISA-N
XLogP5.53
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.44
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine (CID 3399702) is 3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine is CCn1c(C)cs/c1=N\c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine?
The InChIKey is SFTCEKYJYPUVRO-DCOWGZKISA-N. The full InChI is InChI=1S/C18H18N4S/c1-3-22-14(2)13-23-18(22)19-15-9-11-17(12-10-15)21-20-16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/b19-18-,21-20+.
What are the key properties of 3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine?
3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine has a molecular weight of 322.44 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 3399702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).