(2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide

C16H26N4O2S — CID 118980272

IUPAC(2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide
SMILESCOC[C@H]1CCCN1Cc1cnc(NC(=O)[C@H]2CCN[C@H]2C)s1
InChIInChI=1S/C16H26N4O2S/c1-11-14(5-6-17-11)15(21)19-16-18-8-13(23-16)9-20-7-3-4-12(20)10-22-2/h8,11-12,14,17H,3-7,9-10H2,1-2H3,(H,18,19,21)/t11-,12+,14-/m0/s1
InChIKeyBZRQSOOCDDIJHR-SCRDCRAPSA-N
MW338.48 g/mol
LogP1.69
Rot. Bonds6

About (2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide

(2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 118980272) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is (2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide
PubChem CID118980272
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name(2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide
SMILESCOC[C@H]1CCCN1Cc1cnc(NC(=O)[C@H]2CCN[C@H]2C)s1
InChIInChI=1S/C16H26N4O2S/c1-11-14(5-6-17-11)15(21)19-16-18-8-13(23-16)9-20-7-3-4-12(20)10-22-2/h8,11-12,14,17H,3-7,9-10H2,1-2H3,(H,18,19,21)/t11-,12+,14-/m0/s1
InChIKeyBZRQSOOCDDIJHR-SCRDCRAPSA-N
XLogP1.69
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide (CID 118980272) is (2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide is COC[C@H]1CCCN1Cc1cnc(NC(=O)[C@H]2CCN[C@H]2C)s1.
What is the InChIKey of (2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is BZRQSOOCDDIJHR-SCRDCRAPSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-11-14(5-6-17-11)15(21)19-16-18-8-13(23-16)9-20-7-3-4-12(20)10-22-2/h8,11-12,14,17H,3-7,9-10H2,1-2H3,(H,18,19,21)/t11-,12+,14-/m0/s1.
What are the key properties of (2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide?
(2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 118980272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).