N-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

C17H23N3OS — CID 71741164

IUPACN-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCCCCC/C(C)=N/Nc1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C17H23N3OS/c1-4-5-6-7-13(2)19-20-17-18-16(12-22-17)14-8-10-15(21-3)11-9-14/h8-12H,4-7H2,1-3H3,(H,18,20)/b19-13+
InChIKeyHUBKHHFLGGNPGV-CPNJWEJPSA-N
MW317.46 g/mol
LogP5.19
Rot. Bonds8

About N-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

N-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 71741164) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID71741164
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCCCCC/C(C)=N/Nc1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C17H23N3OS/c1-4-5-6-7-13(2)19-20-17-18-16(12-22-17)14-8-10-15(21-3)11-9-14/h8-12H,4-7H2,1-3H3,(H,18,20)/b19-13+
InChIKeyHUBKHHFLGGNPGV-CPNJWEJPSA-N
XLogP5.19
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-heptan-2-ylideneamino]-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

T16AInh-A01
CID 135460621
2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(2-Amino-1,3-thiazol-4-yl)phenol
CID 346926
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
4-(2-Methoxy-phenyl)-thiazol-2-ylamine
CID 735252
4-(2,3-Dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
CID 2758374
4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
CID 2759006
4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 613228
5-Ethyl-4-(4-methoxy-phenyl)-thiazol-2-ylamine
CID 828523
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943

Frequently Asked Questions

What is the IUPAC name of N-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 71741164) is N-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is CCCCC/C(C)=N/Nc1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of N-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is HUBKHHFLGGNPGV-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-4-5-6-7-13(2)19-20-17-18-16(12-22-17)14-8-10-15(21-3)11-9-14/h8-12H,4-7H2,1-3H3,(H,18,20)/b19-13+.
What are the key properties of N-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
N-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 317.46 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-heptan-2-ylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 71741164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).