2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole

C12H11N7S — CID 166740273

IUPAC2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole
SMILESCc1ncnc(Cc2ccnc(Cc3nncs3)n2)n1
InChIInChI=1S/C12H11N7S/c1-8-14-6-15-10(17-8)4-9-2-3-13-11(18-9)5-12-19-16-7-20-12/h2-3,6-7H,4-5H2,1H3
InChIKeyKLERCRLXOLVVRW-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.00
Rot. Bonds4

About 2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole

2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole (PubChem CID 166740273) has the molecular formula C12H11N7S and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole
PubChem CID166740273
Molecular FormulaC12H11N7S
Molecular Weight285.34 g/mol
Exact Mass285.08
IUPAC Name2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole
SMILESCc1ncnc(Cc2ccnc(Cc3nncs3)n2)n1
InChIInChI=1S/C12H11N7S/c1-8-14-6-15-10(17-8)4-9-2-3-13-11(18-9)5-12-19-16-7-20-12/h2-3,6-7H,4-5H2,1H3
InChIKeyKLERCRLXOLVVRW-UHFFFAOYSA-N
XLogP1.00
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole 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-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole (CID 166740273) is 2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole is Cc1ncnc(Cc2ccnc(Cc3nncs3)n2)n1.
What is the InChIKey of 2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole?
The InChIKey is KLERCRLXOLVVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7S/c1-8-14-6-15-10(17-8)4-9-2-3-13-11(18-9)5-12-19-16-7-20-12/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole?
2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole has a molecular weight of 285.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methyl-1,3,5-triazin-2-yl)methyl]pyrimidin-2-yl]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 166740273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).