(3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C18H28N4O2S — CID 72839345

IUPAC(3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)[C@H]1CNC[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C18H28N4O2S/c1-3-15-16(25-12(2)21-15)11-20-17(23)13-8-14(10-19-9-13)18(24)22-6-4-5-7-22/h13-14,19H,3-11H2,1-2H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyYEFGTUHLKLJMDD-ZIAGYGMSSA-N
MW364.52 g/mol
LogP1.48
Rot. Bonds5

About (3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

(3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 72839345) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is (3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID72839345
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name(3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)[C@H]1CNC[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C18H28N4O2S/c1-3-15-16(25-12(2)21-15)11-20-17(23)13-8-14(10-19-9-13)18(24)22-6-4-5-7-22/h13-14,19H,3-11H2,1-2H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyYEFGTUHLKLJMDD-ZIAGYGMSSA-N
XLogP1.48
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 72839345) is (3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is CCc1nc(C)sc1CNC(=O)[C@H]1CNC[C@H](C(=O)N2CCCC2)C1.
What is the InChIKey of (3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is YEFGTUHLKLJMDD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-3-15-16(25-12(2)21-15)11-20-17(23)13-8-14(10-19-9-13)18(24)22-6-4-5-7-22/h13-14,19H,3-11H2,1-2H3,(H,20,23)/t13-,14-/m1/s1.
What are the key properties of (3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
(3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 364.52 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72839345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).