1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine

C25H28N6S — CID 145104782

IUPAC1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine
SMILESC1CNCNC1.C=Nc1nc(-c2cccc(N(C)Cc3cccc4ccccc34)n2)cs1
InChIInChI=1S/C21H18N4S.C4H10N2/c1-22-21-24-19(14-26-21)18-11-6-12-20(23-18)25(2)13-16-9-5-8-15-7-3-4-10-17(15)16;1-2-5-4-6-3-1/h3-12,14H,1,13H2,2H3;5-6H,1-4H2
InChIKeyOYKVEIZTDNZSSV-UHFFFAOYSA-N
MW444.61 g/mol
LogP4.85
Rot. Bonds5

About 1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine

1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine (PubChem CID 145104782) has the molecular formula C25H28N6S and a molecular weight of 444.61 g/mol. Its IUPAC name is 1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine
PubChem CID145104782
Molecular FormulaC25H28N6S
Molecular Weight444.61 g/mol
Exact Mass444.21
IUPAC Name1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine
SMILESC1CNCNC1.C=Nc1nc(-c2cccc(N(C)Cc3cccc4ccccc34)n2)cs1
InChIInChI=1S/C21H18N4S.C4H10N2/c1-22-21-24-19(14-26-21)18-11-6-12-20(23-18)25(2)13-16-9-5-8-15-7-3-4-10-17(15)16;1-2-5-4-6-3-1/h3-12,14H,1,13H2,2H3;5-6H,1-4H2
InChIKeyOYKVEIZTDNZSSV-UHFFFAOYSA-N
XLogP4.85
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.61
LogP ≤ 54.85
H-Bond Donors ≤ 52
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 1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine?
The IUPAC name of 1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine (CID 145104782) is 1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine?
The canonical SMILES for 1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine is C1CNCNC1.C=Nc1nc(-c2cccc(N(C)Cc3cccc4ccccc34)n2)cs1.
What is the InChIKey of 1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine?
The InChIKey is OYKVEIZTDNZSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4S.C4H10N2/c1-22-21-24-19(14-26-21)18-11-6-12-20(23-18)25(2)13-16-9-5-8-15-7-3-4-10-17(15)16;1-2-5-4-6-3-1/h3-12,14H,1,13H2,2H3;5-6H,1-4H2.
What are the key properties of 1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine?
1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine has a molecular weight of 444.61 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 145104782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).