1,3-diazinane;N-[4-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine

C18H21N5OS2 — CID 145104146

IUPAC1,3-diazinane;N-[4-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine
SMILESC1CNCNC1.C=Nc1nc(-c2csc(-c3ccc(OC)nc3)c2)cs1
InChIInChI=1S/C14H11N3OS2.C4H10N2/c1-15-14-17-11(8-20-14)10-5-12(19-7-10)9-3-4-13(18-2)16-6-9;1-2-5-4-6-3-1/h3-8H,1H2,2H3;5-6H,1-4H2
InChIKeyXEOZDXGTTAWIJN-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.80
Rot. Bonds4

About 1,3-diazinane;N-[4-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine

1,3-diazinane;N-[4-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine (PubChem CID 145104146) has the molecular formula C18H21N5OS2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 1,3-diazinane;N-[4-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine.

Molecular Properties

Compound Name1,3-diazinane;N-[4-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine
PubChem CID145104146
Molecular FormulaC18H21N5OS2
Molecular Weight387.53 g/mol
Exact Mass387.12
IUPAC Name1,3-diazinane;N-[4-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine
SMILESC1CNCNC1.C=Nc1nc(-c2csc(-c3ccc(OC)nc3)c2)cs1
InChIInChI=1S/C14H11N3OS2.C4H10N2/c1-15-14-17-11(8-20-14)10-5-12(19-7-10)9-3-4-13(18-2)16-6-9;1-2-5-4-6-3-1/h3-8H,1H2,2H3;5-6H,1-4H2
InChIKeyXEOZDXGTTAWIJN-UHFFFAOYSA-N
XLogP3.80
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
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-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine?
The IUPAC name of 1,3-diazinane;N-[4-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine (CID 145104146) is 1,3-diazinane;N-[4-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine.
What is the SMILES notation for 1,3-diazinane;N-[4-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine?
The canonical SMILES for 1,3-diazinane;N-[4-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine is C1CNCNC1.C=Nc1nc(-c2csc(-c3ccc(OC)nc3)c2)cs1.
What is the InChIKey of 1,3-diazinane;N-[4-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine?
The InChIKey is XEOZDXGTTAWIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2.C4H10N2/c1-15-14-17-11(8-20-14)10-5-12(19-7-10)9-3-4-13(18-2)16-6-9;1-2-5-4-6-3-1/h3-8H,1H2,2H3;5-6H,1-4H2.
What are the key properties of 1,3-diazinane;N-[4-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine?
1,3-diazinane;N-[4-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine has a molecular weight of 387.53 g/mol, XLogP of 3.80, 4 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-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine is sourced from PubChem (CID 145104146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).