N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

C17H19N3OS — CID 16645489

IUPACN-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C/C3CC=CCC3)n2)cc1
InChIInChI=1S/C17H19N3OS/c1-21-15-9-7-14(8-10-15)16-12-22-17(19-16)20-18-11-13-5-3-2-4-6-13/h2-3,7-13H,4-6H2,1H3,(H,19,20)/b18-11+
InChIKeyXFPOHVQKFSXJCQ-WOJGMQOQSA-N
MW313.43 g/mol
LogP4.57
Rot. Bonds5

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

N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 16645489) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID16645489
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C/C3CC=CCC3)n2)cc1
InChIInChI=1S/C17H19N3OS/c1-21-15-9-7-14(8-10-15)16-12-22-17(19-16)20-18-11-13-5-3-2-4-6-13/h2-3,7-13H,4-6H2,1H3,(H,19,20)/b18-11+
InChIKeyXFPOHVQKFSXJCQ-WOJGMQOQSA-N
XLogP4.57
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 7365363
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 5230090
3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine
CID 23939187
4-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135754061
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932197
4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine
CID 155540204
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 3345194
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)-(2,3-dichlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533887
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazine
CID 5211248

Frequently Asked Questions

What is the IUPAC name of N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 16645489) is N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(N/N=C/C3CC=CCC3)n2)cc1.
What is the InChIKey of N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is XFPOHVQKFSXJCQ-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-21-15-9-7-14(8-10-15)16-12-22-17(19-16)20-18-11-13-5-3-2-4-6-13/h2-3,7-13H,4-6H2,1H3,(H,19,20)/b18-11+.
What are the key properties of N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 313.43 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 16645489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).