5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole

C9H12N2S — CID 89129025

IUPAC5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole
SMILESCN1CC=C(c2cncs2)CC1
InChIInChI=1S/C9H12N2S/c1-11-4-2-8(3-5-11)9-6-10-7-12-9/h2,6-7H,3-5H2,1H3
InChIKeyMSENNKKMSKAFJE-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.86
Rot. Bonds1

About 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole

5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole (PubChem CID 89129025) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole
PubChem CID89129025
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole
SMILESCN1CC=C(c2cncs2)CC1
InChIInChI=1S/C9H12N2S/c1-11-4-2-8(3-5-11)9-6-10-7-12-9/h2,6-7H,3-5H2,1H3
InChIKeyMSENNKKMSKAFJE-UHFFFAOYSA-N
XLogP1.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole?
The IUPAC name of 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole (CID 89129025) is 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole.
What is the SMILES notation for 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole?
The canonical SMILES for 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole is CN1CC=C(c2cncs2)CC1.
What is the InChIKey of 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole?
The InChIKey is MSENNKKMSKAFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-11-4-2-8(3-5-11)9-6-10-7-12-9/h2,6-7H,3-5H2,1H3.
What are the key properties of 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole?
5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole has a molecular weight of 180.28 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole is sourced from PubChem (CID 89129025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).