2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione

C10H10N4S2 — CID 106482874

IUPAC2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
SMILESS=c1nc(-c2cscn2)[nH]c2c1CNCC2
InChIInChI=1S/C10H10N4S2/c15-10-6-3-11-2-1-7(6)13-9(14-10)8-4-16-5-12-8/h4-5,11H,1-3H2,(H,13,14,15)
InChIKeyZSIWOGBRMRICPU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.91
Rot. Bonds1

About 2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione

2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione (PubChem CID 106482874) has the molecular formula C10H10N4S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
PubChem CID106482874
Molecular FormulaC10H10N4S2
Molecular Weight250.35 g/mol
Exact Mass250.03
IUPAC Name2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
SMILESS=c1nc(-c2cscn2)[nH]c2c1CNCC2
InChIInChI=1S/C10H10N4S2/c15-10-6-3-11-2-1-7(6)13-9(14-10)8-4-16-5-12-8/h4-5,11H,1-3H2,(H,13,14,15)
InChIKeyZSIWOGBRMRICPU-UHFFFAOYSA-N
XLogP1.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-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 2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione?
The IUPAC name of 2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione (CID 106482874) is 2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione?
The canonical SMILES for 2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione is S=c1nc(-c2cscn2)[nH]c2c1CNCC2.
What is the InChIKey of 2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione?
The InChIKey is ZSIWOGBRMRICPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S2/c15-10-6-3-11-2-1-7(6)13-9(14-10)8-4-16-5-12-8/h4-5,11H,1-3H2,(H,13,14,15).
What are the key properties of 2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione?
2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione has a molecular weight of 250.35 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione is sourced from PubChem (CID 106482874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).