(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide

C10H13N3O2S — CID 94177447

IUPAC(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1csc(CNC(=O)[C@H]2CCC(=O)N2)n1
InChIInChI=1S/C10H13N3O2S/c1-6-5-16-9(12-6)4-11-10(15)7-2-3-8(14)13-7/h5,7H,2-4H2,1H3,(H,11,15)(H,13,14)/t7-/m1/s1
InChIKeyXKOFHKHJKWQLGR-SSDOTTSWSA-N
MW239.30 g/mol
LogP0.35
Rot. Bonds3

About (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 94177447) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID94177447
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1csc(CNC(=O)[C@H]2CCC(=O)N2)n1
InChIInChI=1S/C10H13N3O2S/c1-6-5-16-9(12-6)4-11-10(15)7-2-3-8(14)13-7/h5,7H,2-4H2,1H3,(H,11,15)(H,13,14)/t7-/m1/s1
InChIKeyXKOFHKHJKWQLGR-SSDOTTSWSA-N
XLogP0.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110746410
N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110689742
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119839231
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 61044449
(4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 125170845
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119839235
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
CID 114428592
5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 110445216
(4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94171644
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 66008151
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
6-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 54913406

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 94177447) is (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide is Cc1csc(CNC(=O)[C@H]2CCC(=O)N2)n1.
What is the InChIKey of (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XKOFHKHJKWQLGR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6-5-16-9(12-6)4-11-10(15)7-2-3-8(14)13-7/h5,7H,2-4H2,1H3,(H,11,15)(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 239.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 94177447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).