2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide

C16H17N3O2S2 — CID 42815168

IUPAC2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccnc1)N1C(=O)CSC1c1ccsc1
InChIInChI=1S/C16H17N3O2S2/c1-11(15(21)18-8-12-3-2-5-17-7-12)19-14(20)10-23-16(19)13-4-6-22-9-13/h2-7,9,11,16H,8,10H2,1H3,(H,18,21)
InChIKeyGQHBYQUIRBQOCN-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.42
Rot. Bonds5

About 2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide

2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 42815168) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID42815168
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC Name2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccnc1)N1C(=O)CSC1c1ccsc1
InChIInChI=1S/C16H17N3O2S2/c1-11(15(21)18-8-12-3-2-5-17-7-12)19-14(20)10-23-16(19)13-4-6-22-9-13/h2-7,9,11,16H,8,10H2,1H3,(H,18,21)
InChIKeyGQHBYQUIRBQOCN-UHFFFAOYSA-N
XLogP2.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 11939645
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 42816187
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
2-[(4S)-3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-4-thiophen-3-yl-4H-pyrazolo[5,4-e][1,4]thiazepin-8-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 98444427
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147775
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352
2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 91918211
2-propan-2-yl-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780340
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 43002459
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide (CID 42815168) is 2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide is CC(C(=O)NCc1cccnc1)N1C(=O)CSC1c1ccsc1.
What is the InChIKey of 2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is GQHBYQUIRBQOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-11(15(21)18-8-12-3-2-5-17-7-12)19-14(20)10-23-16(19)13-4-6-22-9-13/h2-7,9,11,16H,8,10H2,1H3,(H,18,21).
What are the key properties of 2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 347.47 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 2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 42815168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).