1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C14H15N3O3S — CID 5094501

IUPAC1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1csc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)n1
InChIInChI=1S/C14H15N3O3S/c1-9-8-21-14(15-9)16-13(19)10-5-12(18)17(6-10)7-11-3-2-4-20-11/h2-4,8,10H,5-7H2,1H3,(H,15,16,19)
InChIKeyNTTCAWVBJZEFQX-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.03
Rot. Bonds4

About 1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 5094501) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID5094501
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1csc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)n1
InChIInChI=1S/C14H15N3O3S/c1-9-8-21-14(15-9)16-13(19)10-5-12(18)17(6-10)7-11-3-2-4-20-11/h2-4,8,10H,5-7H2,1H3,(H,15,16,19)
InChIKeyNTTCAWVBJZEFQX-UHFFFAOYSA-N
XLogP2.03
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 5094501) is 1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1csc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)n1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NTTCAWVBJZEFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-8-21-14(15-9)16-13(19)10-5-12(18)17(6-10)7-11-3-2-4-20-11/h2-4,8,10H,5-7H2,1H3,(H,15,16,19).
What are the key properties of 1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 5094501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).