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

C14H14N2S — CID 67376788

IUPAC2-phenyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole
SMILESC1=C(c2csc(-c3ccccc3)n2)CCNC1
InChIInChI=1S/C14H14N2S/c1-2-4-12(5-3-1)14-16-13(10-17-14)11-6-8-15-9-7-11/h1-6,10,15H,7-9H2
InChIKeyGAQBKIGAHJOFOQ-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.19
Rot. Bonds2

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

2-phenyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole (PubChem CID 67376788) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-phenyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole
PubChem CID67376788
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-phenyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole
SMILESC1=C(c2csc(-c3ccccc3)n2)CCNC1
InChIInChI=1S/C14H14N2S/c1-2-4-12(5-3-1)14-16-13(10-17-14)11-6-8-15-9-7-11/h1-6,10,15H,7-9H2
InChIKeyGAQBKIGAHJOFOQ-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole?
The IUPAC name of 2-phenyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole (CID 67376788) is 2-phenyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole is C1=C(c2csc(-c3ccccc3)n2)CCNC1.
What is the InChIKey of 2-phenyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole?
The InChIKey is GAQBKIGAHJOFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-2-4-12(5-3-1)14-16-13(10-17-14)11-6-8-15-9-7-11/h1-6,10,15H,7-9H2.
What are the key properties of 2-phenyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole?
2-phenyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole has a molecular weight of 242.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole is sourced from PubChem (CID 67376788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).