N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C14H16N2O2S2 — CID 94180682

IUPACN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)N[C@H]1CCSc2ccccc21
InChIInChI=1S/C14H16N2O2S2/c17-13(7-16-9-19-8-14(16)18)15-11-5-6-20-12-4-2-1-3-10(11)12/h1-4,11H,5-9H2,(H,15,17)/t11-/m0/s1
InChIKeyVFDQOHIVLPGVMF-NSHDSACASA-N
MW308.43 g/mol
LogP1.87
Rot. Bonds3

About N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 94180682) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID94180682
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)N[C@H]1CCSc2ccccc21
InChIInChI=1S/C14H16N2O2S2/c17-13(7-16-9-19-8-14(16)18)15-11-5-6-20-12-4-2-1-3-10(11)12/h1-4,11H,5-9H2,(H,15,17)/t11-/m0/s1
InChIKeyVFDQOHIVLPGVMF-NSHDSACASA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(1-adamantyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 4785473
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
CID 18193181
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41144802
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 94180682) is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)N[C@H]1CCSc2ccccc21.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is VFDQOHIVLPGVMF-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O2S2/c17-13(7-16-9-19-8-14(16)18)15-11-5-6-20-12-4-2-1-3-10(11)12/h1-4,11H,5-9H2,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 308.43 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 94180682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).