4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione

C10H10N4S2 — CID 87568576

IUPAC4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(CC2=CC=CN3SNC=C23)[nH]1
InChIInChI=1S/C10H10N4S2/c15-10-11-5-8(13-10)4-7-2-1-3-14-9(7)6-12-16-14/h1-3,5-6,12H,4H2,(H2,11,13,15)
InChIKeyQRXAAUYURKHQEU-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.38
Rot. Bonds2

About 4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione

4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione (PubChem CID 87568576) has the molecular formula C10H10N4S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione
PubChem CID87568576
Molecular FormulaC10H10N4S2
Molecular Weight250.35 g/mol
Exact Mass250.03
IUPAC Name4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(CC2=CC=CN3SNC=C23)[nH]1
InChIInChI=1S/C10H10N4S2/c15-10-11-5-8(13-10)4-7-2-1-3-14-9(7)6-12-16-14/h1-3,5-6,12H,4H2,(H2,11,13,15)
InChIKeyQRXAAUYURKHQEU-UHFFFAOYSA-N
XLogP2.38
TPSA46.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione (CID 87568576) is 4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione is S=c1[nH]cc(CC2=CC=CN3SNC=C23)[nH]1.
What is the InChIKey of 4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is QRXAAUYURKHQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S2/c15-10-11-5-8(13-10)4-7-2-1-3-14-9(7)6-12-16-14/h1-3,5-6,12H,4H2,(H2,11,13,15).
What are the key properties of 4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione?
4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 250.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylmethyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 87568576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).