1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine

C18H22N6S2 — CID 145104170

IUPAC1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine
SMILESC1CNCNC1.C=Nc1nc(-c2csc(-c3ccc(C)nc3C)n2)cs1
InChIInChI=1S/C14H12N4S2.C4H10N2/c1-8-4-5-10(9(2)16-8)13-17-11(6-19-13)12-7-20-14(15-3)18-12;1-2-5-4-6-3-1/h4-7H,3H2,1-2H3;5-6H,1-4H2
InChIKeyZYNIVQPORWOQGN-UHFFFAOYSA-N
MW386.55 g/mol
LogP3.80
Rot. Bonds3

About 1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine

1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine (PubChem CID 145104170) has the molecular formula C18H22N6S2 and a molecular weight of 386.55 g/mol. Its IUPAC name is 1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine.

Molecular Properties

Compound Name1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine
PubChem CID145104170
Molecular FormulaC18H22N6S2
Molecular Weight386.55 g/mol
Exact Mass386.13
IUPAC Name1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine
SMILESC1CNCNC1.C=Nc1nc(-c2csc(-c3ccc(C)nc3C)n2)cs1
InChIInChI=1S/C14H12N4S2.C4H10N2/c1-8-4-5-10(9(2)16-8)13-17-11(6-19-13)12-7-20-14(15-3)18-12;1-2-5-4-6-3-1/h4-7H,3H2,1-2H3;5-6H,1-4H2
InChIKeyZYNIVQPORWOQGN-UHFFFAOYSA-N
XLogP3.80
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine?
The IUPAC name of 1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine (CID 145104170) is 1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine.
What is the SMILES notation for 1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine?
The canonical SMILES for 1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine is C1CNCNC1.C=Nc1nc(-c2csc(-c3ccc(C)nc3C)n2)cs1.
What is the InChIKey of 1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine?
The InChIKey is ZYNIVQPORWOQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S2.C4H10N2/c1-8-4-5-10(9(2)16-8)13-17-11(6-19-13)12-7-20-14(15-3)18-12;1-2-5-4-6-3-1/h4-7H,3H2,1-2H3;5-6H,1-4H2.
What are the key properties of 1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine?
1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine has a molecular weight of 386.55 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinane;N-[4-[2-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methanimine is sourced from PubChem (CID 145104170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).