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

C16H19N3O3S — CID 95739433

IUPAC(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2nc(C)c(C)s2)o1
InChIInChI=1S/C16H19N3O3S/c1-9-4-5-12(22-9)8-19-13(6-7-14(19)20)15(21)18-16-17-10(2)11(3)23-16/h4-5,13H,6-8H2,1-3H3,(H,17,18,21)/t13-/m1/s1
InChIKeyNCDOEVGQFCWQSU-CYBMUJFWSA-N
MW333.41 g/mol
LogP2.79
Rot. Bonds4

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

(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95739433) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95739433
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2nc(C)c(C)s2)o1
InChIInChI=1S/C16H19N3O3S/c1-9-4-5-12(22-9)8-19-13(6-7-14(19)20)15(21)18-16-17-10(2)11(3)23-16/h4-5,13H,6-8H2,1-3H3,(H,17,18,21)/t13-/m1/s1
InChIKeyNCDOEVGQFCWQSU-CYBMUJFWSA-N
XLogP2.79
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 95739433) is (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide is Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2nc(C)c(C)s2)o1.
What is the InChIKey of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NCDOEVGQFCWQSU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-9-4-5-12(22-9)8-19-13(6-7-14(19)20)15(21)18-16-17-10(2)11(3)23-16/h4-5,13H,6-8H2,1-3H3,(H,17,18,21)/t13-/m1/s1.
What are the key properties of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95739433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).