4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine

C23H17N3OS — CID 168579045

IUPAC4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESC#CCOc1ccc2ccccc2c1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H17N3OS/c1-2-14-27-22-13-12-17-8-6-7-11-19(17)20(22)15-24-26-23-25-21(16-28-23)18-9-4-3-5-10-18/h1,3-13,15-16H,14H2,(H,25,26)
InChIKeyGWOVLFNIKDFBCR-UHFFFAOYSA-N
MW383.48 g/mol
LogP5.42
Rot. Bonds6

About 4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine

4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168579045) has the molecular formula C23H17N3OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID168579045
Molecular FormulaC23H17N3OS
Molecular Weight383.48 g/mol
Exact Mass383.11
IUPAC Name4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESC#CCOc1ccc2ccccc2c1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H17N3OS/c1-2-14-27-22-13-12-17-8-6-7-11-19(17)20(22)15-24-26-23-25-21(16-28-23)18-9-4-3-5-10-18/h1,3-13,15-16H,14H2,(H,25,26)
InChIKeyGWOVLFNIKDFBCR-UHFFFAOYSA-N
XLogP5.42
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.42
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 126189086
N-[(E)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine
CID 21370628
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
1-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135607363
2-[4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 168576917
N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 3345194
N-[(6-bromo-2,3-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576749
N-[(4-ethoxy-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577238
N-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578906
4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]benzamide
CID 126057160
4-(2,4-dichlorophenyl)-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 155923376
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 94841954

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine (CID 168579045) is 4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine is C#CCOc1ccc2ccccc2c1C=NNc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is GWOVLFNIKDFBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3OS/c1-2-14-27-22-13-12-17-8-6-7-11-19(17)20(22)15-24-26-23-25-21(16-28-23)18-9-4-3-5-10-18/h1,3-13,15-16H,14H2,(H,25,26).
What are the key properties of 4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine?
4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 383.48 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168579045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).