4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine

C20H21N5S — CID 168577813

IUPAC4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESC(=NNc1nc(-c2ccccc2)cs1)c1ccccc1N1CCNCC1
InChIInChI=1S/C20H21N5S/c1-2-6-16(7-3-1)18-15-26-20(23-18)24-22-14-17-8-4-5-9-19(17)25-12-10-21-11-13-25/h1-9,14-15,21H,10-13H2,(H,23,24)
InChIKeyYIJWKRXGWIIFBC-UHFFFAOYSA-N
MW363.49 g/mol
LogP3.67
Rot. Bonds5

About 4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine

4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168577813) has the molecular formula C20H21N5S and a molecular weight of 363.49 g/mol. Its IUPAC name is 4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID168577813
Molecular FormulaC20H21N5S
Molecular Weight363.49 g/mol
Exact Mass363.15
IUPAC Name4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESC(=NNc1nc(-c2ccccc2)cs1)c1ccccc1N1CCNCC1
InChIInChI=1S/C20H21N5S/c1-2-6-16(7-3-1)18-15-26-20(23-18)24-22-14-17-8-4-5-9-19(17)25-12-10-21-11-13-25/h1-9,14-15,21H,10-13H2,(H,23,24)
InChIKeyYIJWKRXGWIIFBC-UHFFFAOYSA-N
XLogP3.67
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168577812
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 117097264
N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576719
4-(4-fluorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6107922
2-methyl-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 137099417
4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168576801
N-[(3-chloro-2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576673
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577342
N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 74220639
N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577947
[3-methyl-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168578894

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 168577813) is 4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine is C(=NNc1nc(-c2ccccc2)cs1)c1ccccc1N1CCNCC1.
What is the InChIKey of 4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is YIJWKRXGWIIFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5S/c1-2-6-16(7-3-1)18-15-26-20(23-18)24-22-14-17-8-4-5-9-19(17)25-12-10-21-11-13-25/h1-9,14-15,21H,10-13H2,(H,23,24).
What are the key properties of 4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 363.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168577813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).