(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine

C17H16N4OS — CID 9390315

IUPAC(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(OC)cc2)n1/N=C\c1ccccn1
InChIInChI=1S/C17H16N4OS/c1-18-17-21(20-11-14-5-3-4-10-19-14)16(12-23-17)13-6-8-15(22-2)9-7-13/h3-12H,1-2H3/b18-17-,20-11-
InChIKeyRIDKRNDRJRDAKP-DCZXDPRASA-N
MW324.41 g/mol
LogP3.03
Rot. Bonds4

About (Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine

(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 9390315) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is (Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID9390315
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(OC)cc2)n1/N=C\c1ccccn1
InChIInChI=1S/C17H16N4OS/c1-18-17-21(20-11-14-5-3-4-10-19-14)16(12-23-17)13-6-8-15(22-2)9-7-13/h3-12H,1-2H3/b18-17-,20-11-
InChIKeyRIDKRNDRJRDAKP-DCZXDPRASA-N
XLogP3.03
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromophenyl)methylideneamino]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine
CID 23966226
4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23792353
N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23993667
N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2364664
N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23992225
(Z)-4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9410516
3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine
CID 23939187
2-bromo-6-methoxy-4-[(E)-[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135691252
N-[3-acetamido-4-[2-methylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 8825768
(Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 9368245
N-(2-nitrophenyl)-3-(pyridin-2-ylmethylideneamino)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23963369
3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2383546

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine (CID 9390315) is (Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(OC)cc2)n1/N=C\c1ccccn1.
What is the InChIKey of (Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is RIDKRNDRJRDAKP-DCZXDPRASA-N. The full InChI is InChI=1S/C17H16N4OS/c1-18-17-21(20-11-14-5-3-4-10-19-14)16(12-23-17)13-6-8-15(22-2)9-7-13/h3-12H,1-2H3/b18-17-,20-11-.
What are the key properties of (Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine?
(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 324.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 9390315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).