N-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide

C17H27N3O2S2 — CID 42815117

IUPACN-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide
SMILESCC(C)CC(C(=O)NCCN(C)C)N1C(=O)CSC1c1ccsc1
InChIInChI=1S/C17H27N3O2S2/c1-12(2)9-14(16(22)18-6-7-19(3)4)20-15(21)11-24-17(20)13-5-8-23-10-13/h5,8,10,12,14,17H,6-7,9,11H2,1-4H3,(H,18,22)
InChIKeyMJLOXXPGZATEBV-UHFFFAOYSA-N
MW369.56 g/mol
LogP2.41
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide

N-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide (PubChem CID 42815117) has the molecular formula C17H27N3O2S2 and a molecular weight of 369.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide
PubChem CID42815117
Molecular FormulaC17H27N3O2S2
Molecular Weight369.56 g/mol
Exact Mass369.15
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide
SMILESCC(C)CC(C(=O)NCCN(C)C)N1C(=O)CSC1c1ccsc1
InChIInChI=1S/C17H27N3O2S2/c1-12(2)9-14(16(22)18-6-7-19(3)4)20-15(21)11-24-17(20)13-5-8-23-10-13/h5,8,10,12,14,17H,6-7,9,11H2,1-4H3,(H,18,22)
InChIKeyMJLOXXPGZATEBV-UHFFFAOYSA-N
XLogP2.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.56
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide (CID 42815117) is N-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide is CC(C)CC(C(=O)NCCN(C)C)N1C(=O)CSC1c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide?
The InChIKey is MJLOXXPGZATEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S2/c1-12(2)9-14(16(22)18-6-7-19(3)4)20-15(21)11-24-17(20)13-5-8-23-10-13/h5,8,10,12,14,17H,6-7,9,11H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide?
N-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide has a molecular weight of 369.56 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-methyl-2-(4-oxo-2-thiophen-3-yl-1,3-thiazolidin-3-yl)pentanamide is sourced from PubChem (CID 42815117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).