3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide

C20H26N2O4S2 — CID 4901854

IUPAC3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
SMILESCOc1cccc(N2/C(=N/C(=O)CCC3CCCC3)SC3CS(=O)(=O)CC32)c1
InChIInChI=1S/C20H26N2O4S2/c1-26-16-8-4-7-15(11-16)22-17-12-28(24,25)13-18(17)27-20(22)21-19(23)10-9-14-5-2-3-6-14/h4,7-8,11,14,17-18H,2-3,5-6,9-10,12-13H2,1H3/b21-20-
InChIKeyNKXPPEADFFCRSU-MRCUWXFGSA-N
MW422.57 g/mol
LogP3.27
Rot. Bonds5

About 3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide

3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide (PubChem CID 4901854) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
PubChem CID4901854
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC Name3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
SMILESCOc1cccc(N2/C(=N/C(=O)CCC3CCCC3)SC3CS(=O)(=O)CC32)c1
InChIInChI=1S/C20H26N2O4S2/c1-26-16-8-4-7-15(11-16)22-17-12-28(24,25)13-18(17)27-20(22)21-19(23)10-9-14-5-2-3-6-14/h4,7-8,11,14,17-18H,2-3,5-6,9-10,12-13H2,1H3/b21-20-
InChIKeyNKXPPEADFFCRSU-MRCUWXFGSA-N
XLogP3.27
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide 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 3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide (CID 4901854) is 3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide is COc1cccc(N2/C(=N/C(=O)CCC3CCCC3)SC3CS(=O)(=O)CC32)c1.
What is the InChIKey of 3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide?
The InChIKey is NKXPPEADFFCRSU-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-26-16-8-4-7-15(11-16)22-17-12-28(24,25)13-18(17)27-20(22)21-19(23)10-9-14-5-2-3-6-14/h4,7-8,11,14,17-18H,2-3,5-6,9-10,12-13H2,1H3/b21-20-.
What are the key properties of 3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide?
3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide has a molecular weight of 422.57 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide is sourced from PubChem (CID 4901854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).