N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C15H17N3O2S2 — CID 8941199

IUPACN-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1nc(-c2ccc(CNC(=O)CN3CCCC3=O)s2)cs1
InChIInChI=1S/C15H17N3O2S2/c1-10-17-12(9-21-10)13-5-4-11(22-13)7-16-14(19)8-18-6-2-3-15(18)20/h4-5,9H,2-3,6-8H2,1H3,(H,16,19)
InChIKeyYUXLTJLJHMVAHZ-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.42
Rot. Bonds5

About N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 8941199) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID8941199
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC NameN-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1nc(-c2ccc(CNC(=O)CN3CCCC3=O)s2)cs1
InChIInChI=1S/C15H17N3O2S2/c1-10-17-12(9-21-10)13-5-4-11(22-13)7-16-14(19)8-18-6-2-3-15(18)20/h4-5,9H,2-3,6-8H2,1H3,(H,16,19)
InChIKeyYUXLTJLJHMVAHZ-UHFFFAOYSA-N
XLogP2.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 8941199) is N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is Cc1nc(-c2ccc(CNC(=O)CN3CCCC3=O)s2)cs1.
What is the InChIKey of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is YUXLTJLJHMVAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-10-17-12(9-21-10)13-5-4-11(22-13)7-16-14(19)8-18-6-2-3-15(18)20/h4-5,9H,2-3,6-8H2,1H3,(H,16,19).
What are the key properties of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 335.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 8941199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).