4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole

C12H18ClN3S — CID 83156244

IUPAC4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole
SMILESCC1CN2CCCCC2CN1c1nc(Cl)cs1
InChIInChI=1S/C12H18ClN3S/c1-9-6-15-5-3-2-4-10(15)7-16(9)12-14-11(13)8-17-12/h8-10H,2-7H2,1H3
InChIKeyQLMGXAHYVYTKRY-UHFFFAOYSA-N
MW271.82 g/mol
LogP2.86
Rot. Bonds1

About 4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole

4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole (PubChem CID 83156244) has the molecular formula C12H18ClN3S and a molecular weight of 271.82 g/mol. Its IUPAC name is 4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole
PubChem CID83156244
Molecular FormulaC12H18ClN3S
Molecular Weight271.82 g/mol
Exact Mass271.09
IUPAC Name4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole
SMILESCC1CN2CCCCC2CN1c1nc(Cl)cs1
InChIInChI=1S/C12H18ClN3S/c1-9-6-15-5-3-2-4-10(15)7-16(9)12-14-11(13)8-17-12/h8-10H,2-7H2,1H3
InChIKeyQLMGXAHYVYTKRY-UHFFFAOYSA-N
XLogP2.86
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.82
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole (CID 83156244) is 4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole is CC1CN2CCCCC2CN1c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole?
The InChIKey is QLMGXAHYVYTKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3S/c1-9-6-15-5-3-2-4-10(15)7-16(9)12-14-11(13)8-17-12/h8-10H,2-7H2,1H3.
What are the key properties of 4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole?
4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole has a molecular weight of 271.82 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole is sourced from PubChem (CID 83156244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).