3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole

C10H14N2S — CID 130886051

IUPAC3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole
SMILESCC1=C(c2cc(C)ns2)CNCC1
InChIInChI=1S/C10H14N2S/c1-7-3-4-11-6-9(7)10-5-8(2)12-13-10/h5,11H,3-4,6H2,1-2H3
InChIKeyAZGCYNXDOOULDM-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.22
Rot. Bonds1

About 3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole

3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole (PubChem CID 130886051) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole
PubChem CID130886051
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole
SMILESCC1=C(c2cc(C)ns2)CNCC1
InChIInChI=1S/C10H14N2S/c1-7-3-4-11-6-9(7)10-5-8(2)12-13-10/h5,11H,3-4,6H2,1-2H3
InChIKeyAZGCYNXDOOULDM-UHFFFAOYSA-N
XLogP2.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
The IUPAC name of 3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole (CID 130886051) is 3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole.
What is the SMILES notation for 3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
The canonical SMILES for 3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole is CC1=C(c2cc(C)ns2)CNCC1.
What is the InChIKey of 3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
The InChIKey is AZGCYNXDOOULDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-7-3-4-11-6-9(7)10-5-8(2)12-13-10/h5,11H,3-4,6H2,1-2H3.
What are the key properties of 3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole has a molecular weight of 194.30 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole is sourced from PubChem (CID 130886051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).