N-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine

C25H22N6OS — CID 90154951

IUPACN-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine
SMILESC=C(/C=N\N=C/c1ccc(OC)cc1)c1ccnc(Nc2cc(C)cc(-c3cncs3)n2)c1
InChIInChI=1S/C25H22N6OS/c1-17-10-22(23-15-26-16-33-23)30-25(11-17)31-24-12-20(8-9-27-24)18(2)13-28-29-14-19-4-6-21(32-3)7-5-19/h4-16H,2H2,1,3H3,(H,27,30,31)/b28-13-,29-14-
InChIKeyYUWPDZHKWWMVFB-DRNSWBLSSA-N
MW454.56 g/mol
LogP5.78
Rot. Bonds8

About N-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine

N-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine (PubChem CID 90154951) has the molecular formula C25H22N6OS and a molecular weight of 454.56 g/mol. Its IUPAC name is N-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine
PubChem CID90154951
Molecular FormulaC25H22N6OS
Molecular Weight454.56 g/mol
Exact Mass454.16
IUPAC NameN-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine
SMILESC=C(/C=N\N=C/c1ccc(OC)cc1)c1ccnc(Nc2cc(C)cc(-c3cncs3)n2)c1
InChIInChI=1S/C25H22N6OS/c1-17-10-22(23-15-26-16-33-23)30-25(11-17)31-24-12-20(8-9-27-24)18(2)13-28-29-14-19-4-6-21(32-3)7-5-19/h4-16H,2H2,1,3H3,(H,27,30,31)/b28-13-,29-14-
InChIKeyYUWPDZHKWWMVFB-DRNSWBLSSA-N
XLogP5.78
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.56
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine with MolForge

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Related Compounds

cis-(1R,4S)-4-hydroxy-4-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-2,2-dimethylcyclohexane-1-carboxylic acid
CID 118558096
(5R)-5-hydroxy-5-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
CID 70977776
butyl 4-[1-hydroxy-1-[5-[6-[(4-methoxy-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxylate
CID 90092164
2-(4-methoxyphenoxy)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349495
N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110131636
N-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide
CID 109176317
methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate
CID 123275801
N-(2,4-dimethoxyphenyl)-2-(2,5-dimethylanilino)pyridine-4-carboxamide
CID 109176642
N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine
CID 134437894
1-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122350326
methyl 5-hydroxy-5-[5-[6-[[4-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylate
CID 89485750
N-cyclohexyl-4-methyl-6-(1,3-thiazol-5-yl)pyridine-2-carboxamide;methanol
CID 166481113

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine (CID 90154951) is N-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine is C=C(/C=N\N=C/c1ccc(OC)cc1)c1ccnc(Nc2cc(C)cc(-c3cncs3)n2)c1.
What is the InChIKey of N-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine?
The InChIKey is YUWPDZHKWWMVFB-DRNSWBLSSA-N. The full InChI is InChI=1S/C25H22N6OS/c1-17-10-22(23-15-26-16-33-23)30-25(11-17)31-24-12-20(8-9-27-24)18(2)13-28-29-14-19-4-6-21(32-3)7-5-19/h4-16H,2H2,1,3H3,(H,27,30,31)/b28-13-,29-14-.
What are the key properties of N-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine?
N-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine has a molecular weight of 454.56 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3Z)-3-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]prop-1-en-2-yl]-2-pyridinyl]-4-methyl-6-(1,3-thiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 90154951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).