3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine

C17H14ClN3S2 — CID 23934393

IUPAC3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2cccs2)n1N=Cc1ccccc1Cl
InChIInChI=1S/C17H14ClN3S2/c1-2-9-19-17-21(15(12-23-17)16-8-5-10-22-16)20-11-13-6-3-4-7-14(13)18/h2-8,10-12H,1,9H2/b19-17-,20-11?
InChIKeyQXTBERNTSLZELP-JJBJCRQGSA-N
MW359.91 g/mol
LogP4.90
Rot. Bonds5

About 3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine

3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23934393) has the molecular formula C17H14ClN3S2 and a molecular weight of 359.91 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23934393
Molecular FormulaC17H14ClN3S2
Molecular Weight359.91 g/mol
Exact Mass359.03
IUPAC Name3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2cccs2)n1N=Cc1ccccc1Cl
InChIInChI=1S/C17H14ClN3S2/c1-2-9-19-17-21(15(12-23-17)16-8-5-10-22-16)20-11-13-6-3-4-7-14(13)18/h2-8,10-12H,1,9H2/b19-17-,20-11?
InChIKeyQXTBERNTSLZELP-JJBJCRQGSA-N
XLogP4.90
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.91
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23934393) is 3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2cccs2)n1N=Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is QXTBERNTSLZELP-JJBJCRQGSA-N. The full InChI is InChI=1S/C17H14ClN3S2/c1-2-9-19-17-21(15(12-23-17)16-8-5-10-22-16)20-11-13-6-3-4-7-14(13)18/h2-8,10-12H,1,9H2/b19-17-,20-11?.
What are the key properties of 3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 359.91 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23934393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).