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

C17H29N3S — CID 79916202

IUPAC4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole
SMILESCc1csc(C(C)N2CC3CCCCN3CC2C(C)C)n1
InChIInChI=1S/C17H29N3S/c1-12(2)16-10-19-8-6-5-7-15(19)9-20(16)14(4)17-18-13(3)11-21-17/h11-12,14-16H,5-10H2,1-4H3
InChIKeyZVRVBAGHUYGWPY-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.71
Rot. Bonds3

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

4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole (PubChem CID 79916202) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole
PubChem CID79916202
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole
SMILESCc1csc(C(C)N2CC3CCCCN3CC2C(C)C)n1
InChIInChI=1S/C17H29N3S/c1-12(2)16-10-19-8-6-5-7-15(19)9-20(16)14(4)17-18-13(3)11-21-17/h11-12,14-16H,5-10H2,1-4H3
InChIKeyZVRVBAGHUYGWPY-UHFFFAOYSA-N
XLogP3.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole with MolForge

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Related Compounds

4-methyl-2-[(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole
CID 79926773
2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918302
2-(dicyclopropylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915707
2-(1-cyclopentylethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925947
1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-one
CID 154746227
2-(1-phenylpropan-2-yl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922611
2-pent-1-yn-3-yl-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 114160540
2-pentan-3-yl-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931014
2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929583
2-[1-(4-methoxyphenyl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918526
3-methyl-2-(1-thiophen-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939451
2-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939180

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole (CID 79916202) is 4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole is Cc1csc(C(C)N2CC3CCCCN3CC2C(C)C)n1.
What is the InChIKey of 4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole?
The InChIKey is ZVRVBAGHUYGWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-12(2)16-10-19-8-6-5-7-15(19)9-20(16)14(4)17-18-13(3)11-21-17/h11-12,14-16H,5-10H2,1-4H3.
What are the key properties of 4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole?
4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole has a molecular weight of 307.51 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 79916202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).