4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine

C15H21N5OS — CID 95823699

IUPAC4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine
SMILESCOCCN1CCC[C@H](c2csc(Nc3cnccn3)n2)C1
InChIInChI=1S/C15H21N5OS/c1-21-8-7-20-6-2-3-12(10-20)13-11-22-15(18-13)19-14-9-16-4-5-17-14/h4-5,9,11-12H,2-3,6-8,10H2,1H3,(H,17,18,19)/t12-/m0/s1
InChIKeyWGWYOUQWMHXYAI-LBPRGKRZSA-N
MW319.43 g/mol
LogP2.50
Rot. Bonds6

About 4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine

4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine (PubChem CID 95823699) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine
PubChem CID95823699
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine
SMILESCOCCN1CCC[C@H](c2csc(Nc3cnccn3)n2)C1
InChIInChI=1S/C15H21N5OS/c1-21-8-7-20-6-2-3-12(10-20)13-11-22-15(18-13)19-14-9-16-4-5-17-14/h4-5,9,11-12H,2-3,6-8,10H2,1H3,(H,17,18,19)/t12-/m0/s1
InChIKeyWGWYOUQWMHXYAI-LBPRGKRZSA-N
XLogP2.50
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-1-[(3S)-3-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propan-1-one
CID 95823746
N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine
CID 95823698
(3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol
CID 95823903
2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol
CID 95827934
3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid
CID 110270511
2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 118740364
3-[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95823694
5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124973900
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine
CID 124989953
2-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazine
CID 124955741
2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol
CID 95823667
4-(1-pyrazin-2-ylpyrrolidin-2-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 110270514

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine (CID 95823699) is 4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine is COCCN1CCC[C@H](c2csc(Nc3cnccn3)n2)C1.
What is the InChIKey of 4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine?
The InChIKey is WGWYOUQWMHXYAI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-21-8-7-20-6-2-3-12(10-20)13-11-22-15(18-13)19-14-9-16-4-5-17-14/h4-5,9,11-12H,2-3,6-8,10H2,1H3,(H,17,18,19)/t12-/m0/s1.
What are the key properties of 4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine?
4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine has a molecular weight of 319.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 95823699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).