naphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone

C17H17NOS2 — CID 131845972

IUPACnaphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone
SMILESCC(C)[C@H]1CSC(=S)N1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H17NOS2/c1-11(2)15-10-21-17(20)18(15)16(19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15H,10H2,1-2H3/t15-/m1/s1
InChIKeyBAAKIUANTKINKG-OAHLLOKOSA-N
MW315.46 g/mol
LogP4.34
Rot. Bonds2

About naphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone

naphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone (PubChem CID 131845972) has the molecular formula C17H17NOS2 and a molecular weight of 315.46 g/mol. Its IUPAC name is naphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone
PubChem CID131845972
Molecular FormulaC17H17NOS2
Molecular Weight315.46 g/mol
Exact Mass315.08
IUPAC Namenaphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone
SMILESCC(C)[C@H]1CSC(=S)N1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H17NOS2/c1-11(2)15-10-21-17(20)18(15)16(19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15H,10H2,1-2H3/t15-/m1/s1
InChIKeyBAAKIUANTKINKG-OAHLLOKOSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of naphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone (CID 131845972) is naphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for naphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for naphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone is CC(C)[C@H]1CSC(=S)N1C(=O)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone?
The InChIKey is BAAKIUANTKINKG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17NOS2/c1-11(2)15-10-21-17(20)18(15)16(19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,15H,10H2,1-2H3/t15-/m1/s1.
What are the key properties of naphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone?
naphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone has a molecular weight of 315.46 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 131845972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).