N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide

C14H18N2O3S2 — CID 91761688

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESO=C(CC1C=CS(=O)(=O)C1)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C14H18N2O3S2/c17-13(8-10-5-7-21(18,19)9-10)15-6-4-14-16-11-2-1-3-12(11)20-14/h5,7,10H,1-4,6,8-9H2,(H,15,17)
InChIKeyJDYTYQWFEOEXDQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.24
Rot. Bonds5

About N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (PubChem CID 91761688) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
PubChem CID91761688
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESO=C(CC1C=CS(=O)(=O)C1)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C14H18N2O3S2/c17-13(8-10-5-7-21(18,19)9-10)15-6-4-14-16-11-2-1-3-12(11)20-14/h5,7,10H,1-4,6,8-9H2,(H,15,17)
InChIKeyJDYTYQWFEOEXDQ-UHFFFAOYSA-N
XLogP1.24
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (CID 91761688) is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide is O=C(CC1C=CS(=O)(=O)C1)NCCc1nc2c(s1)CCC2.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The InChIKey is JDYTYQWFEOEXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c17-13(8-10-5-7-21(18,19)9-10)15-6-4-14-16-11-2-1-3-12(11)20-14/h5,7,10H,1-4,6,8-9H2,(H,15,17).
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide is sourced from PubChem (CID 91761688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).