[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C16H21N5O2S — CID 100657758

IUPAC[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC[C@H](Oc3nccnc3N(C)C)C2)cs1
InChIInChI=1S/C16H21N5O2S/c1-11-19-13(10-24-11)16(22)21-8-4-5-12(9-21)23-15-14(20(2)3)17-6-7-18-15/h6-7,10,12H,4-5,8-9H2,1-3H3/t12-/m0/s1
InChIKeyLPFPKFGIIZZDSW-LBPRGKRZSA-N
MW347.44 g/mol
LogP1.99
Rot. Bonds4

About [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 100657758) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID100657758
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC[C@H](Oc3nccnc3N(C)C)C2)cs1
InChIInChI=1S/C16H21N5O2S/c1-11-19-13(10-24-11)16(22)21-8-4-5-12(9-21)23-15-14(20(2)3)17-6-7-18-15/h6-7,10,12H,4-5,8-9H2,1-3H3/t12-/m0/s1
InChIKeyLPFPKFGIIZZDSW-LBPRGKRZSA-N
XLogP1.99
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 100657758) is [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCC[C@H](Oc3nccnc3N(C)C)C2)cs1.
What is the InChIKey of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is LPFPKFGIIZZDSW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-11-19-13(10-24-11)16(22)21-8-4-5-12(9-21)23-15-14(20(2)3)17-6-7-18-15/h6-7,10,12H,4-5,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 347.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 100657758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).