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

C19H23FN2O3S2 — CID 4905820

IUPAC3-cyclopentyl-N-[3-(2-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
SMILESO=C(CCC1CCCC1)/N=C1\SC2CS(=O)(=O)CC2N1c1ccccc1F
InChIInChI=1S/C19H23FN2O3S2/c20-14-7-3-4-8-15(14)22-16-11-27(24,25)12-17(16)26-19(22)21-18(23)10-9-13-5-1-2-6-13/h3-4,7-8,13,16-17H,1-2,5-6,9-12H2/b21-19-
InChIKeyNGYNSDGITACPQQ-VZCXRCSSSA-N
MW410.54 g/mol
LogP3.40
Rot. Bonds4

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

3-cyclopentyl-N-[3-(2-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide (PubChem CID 4905820) has the molecular formula C19H23FN2O3S2 and a molecular weight of 410.54 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-(2-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-(2-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
PubChem CID4905820
Molecular FormulaC19H23FN2O3S2
Molecular Weight410.54 g/mol
Exact Mass410.11
IUPAC Name3-cyclopentyl-N-[3-(2-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
SMILESO=C(CCC1CCCC1)/N=C1\SC2CS(=O)(=O)CC2N1c1ccccc1F
InChIInChI=1S/C19H23FN2O3S2/c20-14-7-3-4-8-15(14)22-16-11-27(24,25)12-17(16)26-19(22)21-18(23)10-9-13-5-1-2-6-13/h3-4,7-8,13,16-17H,1-2,5-6,9-12H2/b21-19-
InChIKeyNGYNSDGITACPQQ-VZCXRCSSSA-N
XLogP3.40
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-(2-fluorophenyl)-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-(2-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide (CID 4905820) is 3-cyclopentyl-N-[3-(2-fluorophenyl)-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-(2-fluorophenyl)-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-(2-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide is O=C(CCC1CCCC1)/N=C1\SC2CS(=O)(=O)CC2N1c1ccccc1F.
What is the InChIKey of 3-cyclopentyl-N-[3-(2-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide?
The InChIKey is NGYNSDGITACPQQ-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H23FN2O3S2/c20-14-7-3-4-8-15(14)22-16-11-27(24,25)12-17(16)26-19(22)21-18(23)10-9-13-5-1-2-6-13/h3-4,7-8,13,16-17H,1-2,5-6,9-12H2/b21-19-.
What are the key properties of 3-cyclopentyl-N-[3-(2-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide?
3-cyclopentyl-N-[3-(2-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide has a molecular weight of 410.54 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-(2-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]propanamide is sourced from PubChem (CID 4905820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).