3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide

C14H17N5O2S — CID 129476907

IUPAC3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C14H17N5O2S/c1-9-11(8-22-18-9)13(20)17-10-3-2-6-19(7-10)12-14(21)16-5-4-15-12/h4-5,8,10H,2-3,6-7H2,1H3,(H,16,21)(H,17,20)/t10-/m0/s1
InChIKeyVJLZUAIWAJXCED-JTQLQIEISA-N
MW319.39 g/mol
LogP0.93
Rot. Bonds3

About 3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide

3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide (PubChem CID 129476907) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
PubChem CID129476907
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C14H17N5O2S/c1-9-11(8-22-18-9)13(20)17-10-3-2-6-19(7-10)12-14(21)16-5-4-15-12/h4-5,8,10H,2-3,6-7H2,1H3,(H,16,21)(H,17,20)/t10-/m0/s1
InChIKeyVJLZUAIWAJXCED-JTQLQIEISA-N
XLogP0.93
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-2-oxo-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 127974631
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiophene-3-carboxamide
CID 129475720
4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476468
N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 129476803
3-amino-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 129476469
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 129476538
1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea
CID 128967383
4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476714
2-(dimethylamino)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 129477071
N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-indazole-3-carboxamide
CID 167764107
1-(1-cyclopropyl-2-methoxyethyl)-3-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]urea
CID 167948895
3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
CID 126769937

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide (CID 129476907) is 3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1.
What is the InChIKey of 3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide?
The InChIKey is VJLZUAIWAJXCED-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-9-11(8-22-18-9)13(20)17-10-3-2-6-19(7-10)12-14(21)16-5-4-15-12/h4-5,8,10H,2-3,6-7H2,1H3,(H,16,21)(H,17,20)/t10-/m0/s1.
What are the key properties of 3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide?
3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 129476907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).