N-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine

C17H16N4S — CID 2800206

IUPACN-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCC(=NNc1nc(-c2ccccc2)cs1)c1ccc(C)nc1
InChIInChI=1S/C17H16N4S/c1-12-8-9-15(10-18-12)13(2)20-21-17-19-16(11-22-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,21)
InChIKeyAVHSCWWRWMKKKL-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.35
Rot. Bonds4

About N-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 2800206) has the molecular formula C17H16N4S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID2800206
Molecular FormulaC17H16N4S
Molecular Weight308.41 g/mol
Exact Mass308.11
IUPAC NameN-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCC(=NNc1nc(-c2ccccc2)cs1)c1ccc(C)nc1
InChIInChI=1S/C17H16N4S/c1-12-8-9-15(10-18-12)13(2)20-21-17-19-16(11-22-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,21)
InChIKeyAVHSCWWRWMKKKL-UHFFFAOYSA-N
XLogP4.35
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 2800206) is N-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine is CC(=NNc1nc(-c2ccccc2)cs1)c1ccc(C)nc1.
What is the InChIKey of N-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is AVHSCWWRWMKKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S/c1-12-8-9-15(10-18-12)13(2)20-21-17-19-16(11-22-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,21).
What are the key properties of N-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 308.41 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-3-pyridinyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2800206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).