(2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide

C16H26N4OS — CID 91838142

IUPAC(2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCN1CCC(N2CCC[C@H]2C(=O)NCCc2nccs2)CC1
InChIInChI=1S/C16H26N4OS/c1-19-10-5-13(6-11-19)20-9-2-3-14(20)16(21)18-7-4-15-17-8-12-22-15/h8,12-14H,2-7,9-11H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyNXSLBWMRPPQNHC-AWEZNQCLSA-N
MW322.48 g/mol
LogP1.36
Rot. Bonds5

About (2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide

(2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 91838142) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is (2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID91838142
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name(2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCN1CCC(N2CCC[C@H]2C(=O)NCCc2nccs2)CC1
InChIInChI=1S/C16H26N4OS/c1-19-10-5-13(6-11-19)20-9-2-3-14(20)16(21)18-7-4-15-17-8-12-22-15/h8,12-14H,2-7,9-11H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyNXSLBWMRPPQNHC-AWEZNQCLSA-N
XLogP1.36
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 91838142) is (2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide is CN1CCC(N2CCC[C@H]2C(=O)NCCc2nccs2)CC1.
What is the InChIKey of (2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is NXSLBWMRPPQNHC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-19-10-5-13(6-11-19)20-9-2-3-14(20)16(21)18-7-4-15-17-8-12-22-15/h8,12-14H,2-7,9-11H2,1H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
(2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91838142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).