1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine

C9H14N2S3 — CID 130941571

IUPAC1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine
SMILESCNC(c1ccns1)C1CSCCS1
InChIInChI=1S/C9H14N2S3/c1-10-9(7-2-3-11-14-7)8-6-12-4-5-13-8/h2-3,8-10H,4-6H2,1H3
InChIKeyWYLGESNTWHWZDR-UHFFFAOYSA-N
MW246.43 g/mol
LogP2.25
Rot. Bonds3

About 1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine

1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine (PubChem CID 130941571) has the molecular formula C9H14N2S3 and a molecular weight of 246.43 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine
PubChem CID130941571
Molecular FormulaC9H14N2S3
Molecular Weight246.43 g/mol
Exact Mass246.03
IUPAC Name1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine
SMILESCNC(c1ccns1)C1CSCCS1
InChIInChI=1S/C9H14N2S3/c1-10-9(7-2-3-11-14-7)8-6-12-4-5-13-8/h2-3,8-10H,4-6H2,1H3
InChIKeyWYLGESNTWHWZDR-UHFFFAOYSA-N
XLogP2.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine (CID 130941571) is 1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine is CNC(c1ccns1)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine?
The InChIKey is WYLGESNTWHWZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S3/c1-10-9(7-2-3-11-14-7)8-6-12-4-5-13-8/h2-3,8-10H,4-6H2,1H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine?
1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine has a molecular weight of 246.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-N-methyl-1-(1,2-thiazol-5-yl)methanamine is sourced from PubChem (CID 130941571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).