N,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine

C16H18N6S — CID 9028424

IUPACN,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(/C=N\n2cnnc2-c2ccccc2)s1
InChIInChI=1S/C16H18N6S/c1-3-21(4-2)16-17-10-14(23-16)11-19-22-12-18-20-15(22)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3/b19-11-
InChIKeySFACBLCTKWCNLI-ODLFYWEKSA-N
MW326.43 g/mol
LogP3.13
Rot. Bonds6

About N,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine (PubChem CID 9028424) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is N,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine
PubChem CID9028424
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC NameN,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(/C=N\n2cnnc2-c2ccccc2)s1
InChIInChI=1S/C16H18N6S/c1-3-21(4-2)16-17-10-14(23-16)11-19-22-12-18-20-15(22)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3/b19-11-
InChIKeySFACBLCTKWCNLI-ODLFYWEKSA-N
XLogP3.13
TPSA59.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine (CID 9028424) is N,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(/C=N\n2cnnc2-c2ccccc2)s1.
What is the InChIKey of N,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine?
The InChIKey is SFACBLCTKWCNLI-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H18N6S/c1-3-21(4-2)16-17-10-14(23-16)11-19-22-12-18-20-15(22)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3/b19-11-.
What are the key properties of N,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine has a molecular weight of 326.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(Z)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 9028424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).