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

C18H17N3OS2 — CID 155540204

IUPAC4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C/CSc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3OS2/c1-22-15-9-7-14(8-10-15)17-13-24-18(20-17)21-19-11-12-23-16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,20,21)/b19-11+
InChIKeyNOYGHYWVYSXBLZ-YBFXNURJSA-N
MW355.49 g/mol
LogP5.01
Rot. Bonds7

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

4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 155540204) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine
PubChem CID155540204
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC Name4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C/CSc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3OS2/c1-22-15-9-7-14(8-10-15)17-13-24-18(20-17)21-19-11-12-23-16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,20,21)/b19-11+
InChIKeyNOYGHYWVYSXBLZ-YBFXNURJSA-N
XLogP5.01
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[(3,5-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576843
N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 3345194
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533887
4-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135754061
4-(4-methoxyphenyl)-N-[(Z)-1-phenylpropan-2-ylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 172886714
4-(4-methoxyphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534560
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533621
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 5230090
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 16645489
N-[[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579506
N-[(3-methoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 3138871

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine (CID 155540204) is 4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine is COc1ccc(-c2csc(N/N=C/CSc3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is NOYGHYWVYSXBLZ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-22-15-9-7-14(8-10-15)17-13-24-18(20-17)21-19-11-12-23-16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,20,21)/b19-11+.
What are the key properties of 4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 355.49 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 155540204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).