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

C16H23N5OS — CID 95823698

IUPACN-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCN1CCC[C@H](c2nccnc2Nc2nc(C)cs2)C1
InChIInChI=1S/C16H23N5OS/c1-12-11-23-16(19-12)20-15-14(17-5-6-18-15)13-4-3-7-21(10-13)8-9-22-2/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyXVYTUOVBYRBJGO-ZDUSSCGKSA-N
MW333.46 g/mol
LogP2.81
Rot. Bonds6

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

N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 95823698) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID95823698
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCN1CCC[C@H](c2nccnc2Nc2nc(C)cs2)C1
InChIInChI=1S/C16H23N5OS/c1-12-11-23-16(19-12)20-15-14(17-5-6-18-15)13-4-3-7-21(10-13)8-9-22-2/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyXVYTUOVBYRBJGO-ZDUSSCGKSA-N
XLogP2.81
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol
CID 95823667
3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256857
4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 132765437
3-methyl-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]butan-1-one
CID 110256842
4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine
CID 95823699
1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844570
N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 110093602
4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 124969653
5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 124987724
2-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 110093582
3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine
CID 110111464
4-[1-(2-methoxyethyl)piperidin-3-yl]-2-methyl-6-(2-methylpyrazol-3-yl)pyrimidine
CID 110101165

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine (CID 95823698) is N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine is COCCN1CCC[C@H](c2nccnc2Nc2nc(C)cs2)C1.
What is the InChIKey of N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is XVYTUOVBYRBJGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-12-11-23-16(19-12)20-15-14(17-5-6-18-15)13-4-3-7-21(10-13)8-9-22-2/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine?
N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 333.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 95823698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).