5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine

C18H21N7S — CID 124973900

IUPAC5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
SMILESCc1ncsc1CN1CCC[C@H](c2cnc(Nc3cnccn3)cn2)C1
InChIInChI=1S/C18H21N7S/c1-13-16(26-12-23-13)11-25-6-2-3-14(10-25)15-7-22-18(9-21-15)24-17-8-19-4-5-20-17/h4-5,7-9,12,14H,2-3,6,10-11H2,1H3,(H,20,22,24)/t14-/m0/s1
InChIKeyKNCNYDUBUCIKQL-AWEZNQCLSA-N
MW367.48 g/mol
LogP3.15
Rot. Bonds5

About 5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine

5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine (PubChem CID 124973900) has the molecular formula C18H21N7S and a molecular weight of 367.48 g/mol. Its IUPAC name is 5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
PubChem CID124973900
Molecular FormulaC18H21N7S
Molecular Weight367.48 g/mol
Exact Mass367.16
IUPAC Name5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
SMILESCc1ncsc1CN1CCC[C@H](c2cnc(Nc3cnccn3)cn2)C1
InChIInChI=1S/C18H21N7S/c1-13-16(26-12-23-13)11-25-6-2-3-14(10-25)15-7-22-18(9-21-15)24-17-8-19-4-5-20-17/h4-5,7-9,12,14H,2-3,6,10-11H2,1H3,(H,20,22,24)/t14-/m0/s1
InChIKeyKNCNYDUBUCIKQL-AWEZNQCLSA-N
XLogP3.15
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3S)-3-[5-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822423
5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124945589
4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124947493
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine
CID 124989953
5-(1-ethylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 110256139
N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172881471
(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 125005367
5-[(3S)-piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124969984
N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 110111840
2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine
CID 124965345
4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine
CID 95823699
N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 124998331

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine?
The IUPAC name of 5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine (CID 124973900) is 5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine.
What is the SMILES notation for 5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine?
The canonical SMILES for 5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine is Cc1ncsc1CN1CCC[C@H](c2cnc(Nc3cnccn3)cn2)C1.
What is the InChIKey of 5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine?
The InChIKey is KNCNYDUBUCIKQL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N7S/c1-13-16(26-12-23-13)11-25-6-2-3-14(10-25)15-7-22-18(9-21-15)24-17-8-19-4-5-20-17/h4-5,7-9,12,14H,2-3,6,10-11H2,1H3,(H,20,22,24)/t14-/m0/s1.
What are the key properties of 5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine?
5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine has a molecular weight of 367.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine is sourced from PubChem (CID 124973900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).