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

C12H16N2S — CID 178037077

IUPAC2-cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole
SMILESCC1=C(c2cnc(C3CC3)s2)CNCC1
InChIInChI=1S/C12H16N2S/c1-8-4-5-13-6-10(8)11-7-14-12(15-11)9-2-3-9/h7,9,13H,2-6H2,1H3
InChIKeyHRMBGBKXRXYAHG-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.79
Rot. Bonds2

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

2-cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole (PubChem CID 178037077) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole
PubChem CID178037077
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name2-cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole
SMILESCC1=C(c2cnc(C3CC3)s2)CNCC1
InChIInChI=1S/C12H16N2S/c1-8-4-5-13-6-10(8)11-7-14-12(15-11)9-2-3-9/h7,9,13H,2-6H2,1H3
InChIKeyHRMBGBKXRXYAHG-UHFFFAOYSA-N
XLogP2.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole (CID 178037077) is 2-cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole is CC1=C(c2cnc(C3CC3)s2)CNCC1.
What is the InChIKey of 2-cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole?
The InChIKey is HRMBGBKXRXYAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-8-4-5-13-6-10(8)11-7-14-12(15-11)9-2-3-9/h7,9,13H,2-6H2,1H3.
What are the key properties of 2-cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole?
2-cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole has a molecular weight of 220.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole is sourced from PubChem (CID 178037077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).