2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide

C22H31N7O2S — CID 175661452

IUPAC2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2cncc(C3CCN(C(=O)[C@@H]4CCCCN4)CC3)n2)s1
InChIInChI=1S/C22H31N7O2S/c1-14(2)26-20(30)18-12-25-22(32-18)28-19-13-23-11-17(27-19)15-6-9-29(10-7-15)21(31)16-5-3-4-8-24-16/h11-16,24H,3-10H2,1-2H3,(H,26,30)(H,25,27,28)/t16-/m0/s1
InChIKeyMOHFFHKPMBUERY-INIZCTEOSA-N
MW457.60 g/mol
LogP2.66
Rot. Bonds6

About 2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide

2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 175661452) has the molecular formula C22H31N7O2S and a molecular weight of 457.60 g/mol. Its IUPAC name is 2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID175661452
Molecular FormulaC22H31N7O2S
Molecular Weight457.60 g/mol
Exact Mass457.23
IUPAC Name2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2cncc(C3CCN(C(=O)[C@@H]4CCCCN4)CC3)n2)s1
InChIInChI=1S/C22H31N7O2S/c1-14(2)26-20(30)18-12-25-22(32-18)28-19-13-23-11-17(27-19)15-6-9-29(10-7-15)21(31)16-5-3-4-8-24-16/h11-16,24H,3-10H2,1-2H3,(H,26,30)(H,25,27,28)/t16-/m0/s1
InChIKeyMOHFFHKPMBUERY-INIZCTEOSA-N
XLogP2.66
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 175661452) is 2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide is CC(C)NC(=O)c1cnc(Nc2cncc(C3CCN(C(=O)[C@@H]4CCCCN4)CC3)n2)s1.
What is the InChIKey of 2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is MOHFFHKPMBUERY-INIZCTEOSA-N. The full InChI is InChI=1S/C22H31N7O2S/c1-14(2)26-20(30)18-12-25-22(32-18)28-19-13-23-11-17(27-19)15-6-9-29(10-7-15)21(31)16-5-3-4-8-24-16/h11-16,24H,3-10H2,1-2H3,(H,26,30)(H,25,27,28)/t16-/m0/s1.
What are the key properties of 2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]pyrazin-2-yl]amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 175661452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).