4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine

C19H16N6OS — CID 86580310

IUPAC4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C/c3ccc(-n4cncn4)cc3)n2)cc1
InChIInChI=1S/C19H16N6OS/c1-26-17-8-4-15(5-9-17)18-11-27-19(23-18)24-21-10-14-2-6-16(7-3-14)25-13-20-12-22-25/h2-13H,1H3,(H,23,24)/b21-10+
InChIKeyJKORRNZKFNPRBV-UFFVCSGVSA-N
MW376.45 g/mol
LogP3.85
Rot. Bonds6

About 4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine

4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 86580310) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID86580310
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C/c3ccc(-n4cncn4)cc3)n2)cc1
InChIInChI=1S/C19H16N6OS/c1-26-17-8-4-15(5-9-17)18-11-27-19(23-18)24-21-10-14-2-6-16(7-3-14)25-13-20-12-22-25/h2-13H,1H3,(H,23,24)/b21-10+
InChIKeyJKORRNZKFNPRBV-UFFVCSGVSA-N
XLogP3.85
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.85
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'}

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Related Compounds

methyl 4-[2-(1H-pyrazol-1-yl)-1,3-thiazol-4-yl]phenyl ether
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CID 4521790
4-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}methyl)-1,3-thiazol-2-amine
CID 1300486
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CID 70695371
3-[2-(4-Methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]aniline
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1-(2-Pyridinyl)ethanone [4-(4-methoxyphenyl)-1,3-thiazol-2-YL]hydrazone
CID 90481669
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 162673657
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474438
1H-Pyrazol-5-amine, 3-(4-methoxyphenyl)-1-(4-phenyl-2-thiazolyl)-
CID 852600
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CID 9613024

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 86580310) is 4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine is COc1ccc(-c2csc(N/N=C/c3ccc(-n4cncn4)cc3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is JKORRNZKFNPRBV-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-26-17-8-4-15(5-9-17)18-11-27-19(23-18)24-21-10-14-2-6-16(7-3-14)25-13-20-12-22-25/h2-13H,1H3,(H,23,24)/b21-10+.
What are the key properties of 4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 376.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 86580310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).