1-[(2R)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one

About 1-[(2R)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one

1-[(2R)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one (PubChem CID 8539663) has the molecular formula C15H16N4O2S3 and a molecular weight of 380.52 g/mol. Its IUPAC name is 1-[(2R)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name	1-[(2R)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one
PubChem CID	8539663
Molecular Formula	C15H16N4O2S3
Molecular Weight	380.52 g/mol
Exact Mass	380.04
IUPAC Name	1-[(2R)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one
SMILES	Cc1ccccc1-n1nc(S[C@H](C)C(=O)N2CCNC2=O)sc1=S
InChI	InChI=1S/C15H16N4O2S3/c1-9-5-3-4-6-11(9)19-15(22)24-14(17-19)23-10(2)12(20)18-8-7-16-13(18)21/h3-6,10H,7-8H2,1-2H3,(H,16,21)/t10-/m1/s1
InChIKey	VBXZHWRMJSKVTG-SNVBAGLBSA-N
XLogP	3.00
TPSA	67.23 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.52
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one?

The IUPAC name of 1-[(2R)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one (CID 8539663) is 1-[(2R)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one.

What is the SMILES notation for 1-[(2R)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one?

The canonical SMILES for 1-[(2R)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one is Cc1ccccc1-n1nc(S[C@H](C)C(=O)N2CCNC2=O)sc1=S.

What is the InChIKey of 1-[(2R)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one?

The InChIKey is VBXZHWRMJSKVTG-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N4O2S3/c1-9-5-3-4-6-11(9)19-15(22)24-14(17-19)23-10(2)12(20)18-8-7-16-13(18)21/h3-6,10H,7-8H2,1-2H3,(H,16,21)/t10-/m1/s1.

What are the key properties of 1-[(2R)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one?

1-[(2R)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one has a molecular weight of 380.52 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8539663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).