4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

C18H23N7S — CID 124969653

IUPAC4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccnc2[C@H]2CCCN(Cc3ccn[nH]3)C2)sc1C
InChIInChI=1S/C18H23N7S/c1-12-13(2)26-18(22-12)23-17-16(19-7-8-20-17)14-4-3-9-25(10-14)11-15-5-6-21-24-15/h5-8,14H,3-4,9-11H2,1-2H3,(H,21,24)(H,20,22,23)/t14-/m0/s1
InChIKeyJKIGJKRWOPMQFY-AWEZNQCLSA-N
MW369.50 g/mol
LogP3.40
Rot. Bonds5

About 4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 124969653) has the molecular formula C18H23N7S and a molecular weight of 369.50 g/mol. Its IUPAC name is 4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
PubChem CID124969653
Molecular FormulaC18H23N7S
Molecular Weight369.50 g/mol
Exact Mass369.17
IUPAC Name4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccnc2[C@H]2CCCN(Cc3ccn[nH]3)C2)sc1C
InChIInChI=1S/C18H23N7S/c1-12-13(2)26-18(22-12)23-17-16(19-7-8-20-17)14-4-3-9-25(10-14)11-15-5-6-21-24-15/h5-8,14H,3-4,9-11H2,1-2H3,(H,21,24)(H,20,22,23)/t14-/m0/s1
InChIKeyJKIGJKRWOPMQFY-AWEZNQCLSA-N
XLogP3.40
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175656298
N-[3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]pyrazin-2-yl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110111516
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-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine
CID 125003830
N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 124995485
N-methyl-3-[[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 124988938
4-methyl-N-[3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 132765437
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 124961103
2-[(3S)-3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanol
CID 95823667
3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine
CID 110111464
N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine
CID 95823698
3-[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine
CID 124974463

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (CID 124969653) is 4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2nccnc2[C@H]2CCCN(Cc3ccn[nH]3)C2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is JKIGJKRWOPMQFY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N7S/c1-12-13(2)26-18(22-12)23-17-16(19-7-8-20-17)14-4-3-9-25(10-14)11-15-5-6-21-24-15/h5-8,14H,3-4,9-11H2,1-2H3,(H,21,24)(H,20,22,23)/t14-/m0/s1.
What are the key properties of 4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 369.50 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 124969653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).