2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione

C11H8N4S2 — CID 3701969

IUPAC2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
SMILESS=c1[nH]cnc2sc(Nc3ccccc3)nc12
InChIInChI=1S/C11H8N4S2/c16-9-8-10(13-6-12-9)17-11(15-8)14-7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,12,13,16)
InChIKeyNILOVPWVTIMRFW-UHFFFAOYSA-N
MW260.35 g/mol
LogP3.49
Rot. Bonds2

About 2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione

2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione (PubChem CID 3701969) has the molecular formula C11H8N4S2 and a molecular weight of 260.35 g/mol. Its IUPAC name is 2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione.

Molecular Properties

Compound Name2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
PubChem CID3701969
Molecular FormulaC11H8N4S2
Molecular Weight260.35 g/mol
Exact Mass260.02
IUPAC Name2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
SMILESS=c1[nH]cnc2sc(Nc3ccccc3)nc12
InChIInChI=1S/C11H8N4S2/c16-9-8-10(13-6-12-9)17-11(15-8)14-7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,12,13,16)
InChIKeyNILOVPWVTIMRFW-UHFFFAOYSA-N
XLogP3.49
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The IUPAC name of 2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione (CID 3701969) is 2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione.
What is the SMILES notation for 2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The canonical SMILES for 2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione is S=c1[nH]cnc2sc(Nc3ccccc3)nc12.
What is the InChIKey of 2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The InChIKey is NILOVPWVTIMRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S2/c16-9-8-10(13-6-12-9)17-11(15-8)14-7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,12,13,16).
What are the key properties of 2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione has a molecular weight of 260.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione is sourced from PubChem (CID 3701969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).