N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide

C12H18N2OS2 — CID 43696659

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(C(C)NC(=O)C2CSCN2)c(C)s1
InChIInChI=1S/C12H18N2OS2/c1-7-4-10(9(3)17-7)8(2)14-12(15)11-5-16-6-13-11/h4,8,11,13H,5-6H2,1-3H3,(H,14,15)
InChIKeyBDACEUGLUXHCSG-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.20
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 43696659) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID43696659
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(C(C)NC(=O)C2CSCN2)c(C)s1
InChIInChI=1S/C12H18N2OS2/c1-7-4-10(9(3)17-7)8(2)14-12(15)11-5-16-6-13-11/h4,8,11,13H,5-6H2,1-3H3,(H,14,15)
InChIKeyBDACEUGLUXHCSG-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 43696659) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide is Cc1cc(C(C)NC(=O)C2CSCN2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is BDACEUGLUXHCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-7-4-10(9(3)17-7)8(2)14-12(15)11-5-16-6-13-11/h4,8,11,13H,5-6H2,1-3H3,(H,14,15).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43696659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).