(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone

C17H23N5OS — CID 97440551

IUPAC(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
SMILESCCN1CCn2c(C)cnc2C12CCN(C(=O)c1cscn1)CC2
InChIInChI=1S/C17H23N5OS/c1-3-21-8-9-22-13(2)10-18-16(22)17(21)4-6-20(7-5-17)15(23)14-11-24-12-19-14/h10-12H,3-9H2,1-2H3
InChIKeyOWVRFPFTFKHAQG-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.12
Rot. Bonds2

About (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone

(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 97440551) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID97440551
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
SMILESCCN1CCn2c(C)cnc2C12CCN(C(=O)c1cscn1)CC2
InChIInChI=1S/C17H23N5OS/c1-3-21-8-9-22-13(2)10-18-16(22)17(21)4-6-20(7-5-17)15(23)14-11-24-12-19-14/h10-12H,3-9H2,1-2H3
InChIKeyOWVRFPFTFKHAQG-UHFFFAOYSA-N
XLogP2.12
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone (CID 97440551) is (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone is CCN1CCn2c(C)cnc2C12CCN(C(=O)c1cscn1)CC2.
What is the InChIKey of (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is OWVRFPFTFKHAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-3-21-8-9-22-13(2)10-18-16(22)17(21)4-6-20(7-5-17)15(23)14-11-24-12-19-14/h10-12H,3-9H2,1-2H3.
What are the key properties of (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone?
(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 345.47 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97440551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).