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

C11H15N3O2S — CID 94097849

IUPAC(3S)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1csc(CNC(=O)[C@H]2CC(=O)N(C)C2)n1
InChIInChI=1S/C11H15N3O2S/c1-7-6-17-9(13-7)4-12-11(16)8-3-10(15)14(2)5-8/h6,8H,3-5H2,1-2H3,(H,12,16)/t8-/m0/s1
InChIKeyIVMIHPSQBJIOGZ-QMMMGPOBSA-N
MW253.33 g/mol
LogP0.55
Rot. Bonds3

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

(3S)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 94097849) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is (3S)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID94097849
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name(3S)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1csc(CNC(=O)[C@H]2CC(=O)N(C)C2)n1
InChIInChI=1S/C11H15N3O2S/c1-7-6-17-9(13-7)4-12-11(16)8-3-10(15)14(2)5-8/h6,8H,3-5H2,1-2H3,(H,12,16)/t8-/m0/s1
InChIKeyIVMIHPSQBJIOGZ-QMMMGPOBSA-N
XLogP0.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 94097849) is (3S)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1csc(CNC(=O)[C@H]2CC(=O)N(C)C2)n1.
What is the InChIKey of (3S)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IVMIHPSQBJIOGZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7-6-17-9(13-7)4-12-11(16)8-3-10(15)14(2)5-8/h6,8H,3-5H2,1-2H3,(H,12,16)/t8-/m0/s1.
What are the key properties of (3S)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94097849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).