2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one

C9H13N5OS2 — CID 58643266

IUPAC2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1CCCCCc1nn[nH]n1
InChIInChI=1S/C9H13N5OS2/c15-8-6-17-9(16)14(8)5-3-1-2-4-7-10-12-13-11-7/h1-6H2,(H,10,11,12,13)
InChIKeyKRRACXHBHZGKJP-UHFFFAOYSA-N
MW271.37 g/mol
LogP0.77
Rot. Bonds6

About 2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one

2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one (PubChem CID 58643266) has the molecular formula C9H13N5OS2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one
PubChem CID58643266
Molecular FormulaC9H13N5OS2
Molecular Weight271.37 g/mol
Exact Mass271.06
IUPAC Name2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1CCCCCc1nn[nH]n1
InChIInChI=1S/C9H13N5OS2/c15-8-6-17-9(16)14(8)5-3-1-2-4-7-10-12-13-11-7/h1-6H2,(H,10,11,12,13)
InChIKeyKRRACXHBHZGKJP-UHFFFAOYSA-N
XLogP0.77
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 14365442
5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754
CID 59696855
CID 59696855
3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 154303812
3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 53375713
(5Z)-5-[[4-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]-2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one
CID 58644732
(5Z)-5-[[4-(1H-indol-5-yl)thiophen-2-yl]methylidene]-2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one
CID 58644727
4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide
CID 9340752
5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole
CID 61494091
3-[2-(4-hydroxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18593001
5-pentyl-2H-tetrazole
CID 139080284
N-[(2,4-dichlorophenyl)methyl]-6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 9218180

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one (CID 58643266) is 2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one is O=C1CSC(=S)N1CCCCCc1nn[nH]n1.
What is the InChIKey of 2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one?
The InChIKey is KRRACXHBHZGKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS2/c15-8-6-17-9(16)14(8)5-3-1-2-4-7-10-12-13-11-7/h1-6H2,(H,10,11,12,13).
What are the key properties of 2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one?
2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one has a molecular weight of 271.37 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 58643266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).