4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine

C20H17N5S — CID 168577322

IUPAC4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESC(=NNc1nc(-c2ccccc2)cs1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C20H17N5S/c1-2-5-18(6-3-1)19-15-26-20(23-19)24-21-13-16-7-9-17(10-8-16)14-25-12-4-11-22-25/h1-13,15H,14H2,(H,23,24)
InChIKeyFQQNMDGRXSXTDK-UHFFFAOYSA-N
MW359.46 g/mol
LogP4.50
Rot. Bonds6

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

4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168577322) has the molecular formula C20H17N5S and a molecular weight of 359.46 g/mol. Its IUPAC name is 4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID168577322
Molecular FormulaC20H17N5S
Molecular Weight359.46 g/mol
Exact Mass359.12
IUPAC Name4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESC(=NNc1nc(-c2ccccc2)cs1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C20H17N5S/c1-2-5-18(6-3-1)19-15-26-20(23-19)24-21-13-16-7-9-17(10-8-16)14-25-12-4-11-22-25/h1-13,15H,14H2,(H,23,24)
InChIKeyFQQNMDGRXSXTDK-UHFFFAOYSA-N
XLogP4.50
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
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-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 86580247
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
N-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577123
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168576674
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
tert-butyl 4-[[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methyl]piperazine-1-carboxylate
CID 168577814
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136869
N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42336780
4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 7822015

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 168577322) is 4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine is C(=NNc1nc(-c2ccccc2)cs1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of 4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is FQQNMDGRXSXTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5S/c1-2-5-18(6-3-1)19-15-26-20(23-19)24-21-13-16-7-9-17(10-8-16)14-25-12-4-11-22-25/h1-13,15H,14H2,(H,23,24).
What are the key properties of 4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 359.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168577322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).