4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine

C11H13ClN6S — CID 62863844

IUPAC4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine
SMILESCN(c1nc(Cl)nc(-n2ccnc2)n1)C1CCSC1
InChIInChI=1S/C11H13ClN6S/c1-17(8-2-5-19-6-8)10-14-9(12)15-11(16-10)18-4-3-13-7-18/h3-4,7-8H,2,5-6H2,1H3
InChIKeyBWRPCPDOBQHXQV-UHFFFAOYSA-N
MW296.79 g/mol
LogP1.65
Rot. Bonds3

About 4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine

4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine (PubChem CID 62863844) has the molecular formula C11H13ClN6S and a molecular weight of 296.79 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine
PubChem CID62863844
Molecular FormulaC11H13ClN6S
Molecular Weight296.79 g/mol
Exact Mass296.06
IUPAC Name4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine
SMILESCN(c1nc(Cl)nc(-n2ccnc2)n1)C1CCSC1
InChIInChI=1S/C11H13ClN6S/c1-17(8-2-5-19-6-8)10-14-9(12)15-11(16-10)18-4-3-13-7-18/h3-4,7-8H,2,5-6H2,1H3
InChIKeyBWRPCPDOBQHXQV-UHFFFAOYSA-N
XLogP1.65
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine 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-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine (CID 62863844) is 4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine is CN(c1nc(Cl)nc(-n2ccnc2)n1)C1CCSC1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is BWRPCPDOBQHXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6S/c1-17(8-2-5-19-6-8)10-14-9(12)15-11(16-10)18-4-3-13-7-18/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 296.79 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-methyl-N-(thiolan-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).