4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine

C17H14ClN3S2 — CID 155510712

IUPAC4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(N/N=C/CSc3ccccc3)n2)cc1
InChIInChI=1S/C17H14ClN3S2/c18-14-8-6-13(7-9-14)16-12-23-17(20-16)21-19-10-11-22-15-4-2-1-3-5-15/h1-10,12H,11H2,(H,20,21)/b19-10+
InChIKeyGLDYGNQAROJHHS-VXLYETTFSA-N
MW359.91 g/mol
LogP5.65
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 155510712) has the molecular formula C17H14ClN3S2 and a molecular weight of 359.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine
PubChem CID155510712
Molecular FormulaC17H14ClN3S2
Molecular Weight359.91 g/mol
Exact Mass359.03
IUPAC Name4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(N/N=C/CSc3ccccc3)n2)cc1
InChIInChI=1S/C17H14ClN3S2/c18-14-8-6-13(7-9-14)16-12-23-17(20-16)21-19-10-11-22-15-4-2-1-3-5-15/h1-10,12H,11H2,(H,20,21)/b19-10+
InChIKeyGLDYGNQAROJHHS-VXLYETTFSA-N
XLogP5.65
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.91
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine (CID 155510712) is 4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine is Clc1ccc(-c2csc(N/N=C/CSc3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is GLDYGNQAROJHHS-VXLYETTFSA-N. The full InChI is InChI=1S/C17H14ClN3S2/c18-14-8-6-13(7-9-14)16-12-23-17(20-16)21-19-10-11-22-15-4-2-1-3-5-15/h1-10,12H,11H2,(H,20,21)/b19-10+.
What are the key properties of 4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 359.91 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 155510712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).