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

C9H12N2S — CID 19018573

IUPAC2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole
SMILESCc1nc(C2=CCCNC2)cs1
InChIInChI=1S/C9H12N2S/c1-7-11-9(6-12-7)8-3-2-4-10-5-8/h3,6,10H,2,4-5H2,1H3
InChIKeyLYGDFABMZYGAHH-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.83
Rot. Bonds1

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

2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole (PubChem CID 19018573) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole
PubChem CID19018573
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole
SMILESCc1nc(C2=CCCNC2)cs1
InChIInChI=1S/C9H12N2S/c1-7-11-9(6-12-7)8-3-2-4-10-5-8/h3,6,10H,2,4-5H2,1H3
InChIKeyLYGDFABMZYGAHH-UHFFFAOYSA-N
XLogP1.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole (CID 19018573) is 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole is Cc1nc(C2=CCCNC2)cs1.
What is the InChIKey of 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole?
The InChIKey is LYGDFABMZYGAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-7-11-9(6-12-7)8-3-2-4-10-5-8/h3,6,10H,2,4-5H2,1H3.
What are the key properties of 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole?
2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole has a molecular weight of 180.28 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole is sourced from PubChem (CID 19018573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).