methyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate

C15H18N4O2S2 — CID 133469455

IUPACmethyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1cncc(N2CCCC(c3nccs3)C2)n1
InChIInChI=1S/C15H18N4O2S2/c1-21-14(20)10-23-13-8-16-7-12(18-13)19-5-2-3-11(9-19)15-17-4-6-22-15/h4,6-8,11H,2-3,5,9-10H2,1H3
InChIKeyGLIJLIKDCKAMAT-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.58
Rot. Bonds5

About methyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate

methyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate (PubChem CID 133469455) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is methyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate
PubChem CID133469455
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC Namemethyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1cncc(N2CCCC(c3nccs3)C2)n1
InChIInChI=1S/C15H18N4O2S2/c1-21-14(20)10-23-13-8-16-7-12(18-13)19-5-2-3-11(9-19)15-17-4-6-22-15/h4,6-8,11H,2-3,5,9-10H2,1H3
InChIKeyGLIJLIKDCKAMAT-UHFFFAOYSA-N
XLogP2.58
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide
CID 97340602
methyl 2-[6-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate
CID 133469518
methyl 2-[6-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pyrazin-2-yl]sulfanylacetate
CID 96535594
2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole
CID 124883316
[(1R,2R)-2-ethoxycyclopropyl]-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95178681
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
4-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133469453
(5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95762094
(4-methylpyrimidin-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124553964
1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone
CID 97340593
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
3-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67258050

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate?
The IUPAC name of methyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate (CID 133469455) is methyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate is COC(=O)CSc1cncc(N2CCCC(c3nccs3)C2)n1.
What is the InChIKey of methyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate?
The InChIKey is GLIJLIKDCKAMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-21-14(20)10-23-13-8-16-7-12(18-13)19-5-2-3-11(9-19)15-17-4-6-22-15/h4,6-8,11H,2-3,5,9-10H2,1H3.
What are the key properties of methyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate?
methyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate has a molecular weight of 350.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[3-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazin-2-yl]sulfanylacetate is sourced from PubChem (CID 133469455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).