5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one

C19H23N5O2S — CID 132765731

IUPAC5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cnc(Nc2cccc(C3CCN(C(=O)C4CCC(=O)N4)CC3)n2)s1
InChIInChI=1S/C19H23N5O2S/c1-12-11-20-19(27-12)23-16-4-2-3-14(21-16)13-7-9-24(10-8-13)18(26)15-5-6-17(25)22-15/h2-4,11,13,15H,5-10H2,1H3,(H,22,25)(H,20,21,23)
InChIKeyDBAZUKUQLVEYCE-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.57
Rot. Bonds4

About 5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one

5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 132765731) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID132765731
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cnc(Nc2cccc(C3CCN(C(=O)C4CCC(=O)N4)CC3)n2)s1
InChIInChI=1S/C19H23N5O2S/c1-12-11-20-19(27-12)23-16-4-2-3-14(21-16)13-7-9-24(10-8-13)18(26)15-5-6-17(25)22-15/h2-4,11,13,15H,5-10H2,1H3,(H,22,25)(H,20,21,23)
InChIKeyDBAZUKUQLVEYCE-UHFFFAOYSA-N
XLogP2.57
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 132765731) is 5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one is Cc1cnc(Nc2cccc(C3CCN(C(=O)C4CCC(=O)N4)CC3)n2)s1.
What is the InChIKey of 5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is DBAZUKUQLVEYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-12-11-20-19(27-12)23-16-4-2-3-14(21-16)13-7-9-24(10-8-13)18(26)15-5-6-17(25)22-15/h2-4,11,13,15H,5-10H2,1H3,(H,22,25)(H,20,21,23).
What are the key properties of 5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one?
5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 385.49 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 132765731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).