benzene;1,3-thiazole;triazine

C12H12N4S — CID 158133096

IUPACbenzene;1,3-thiazole;triazine
SMILESc1ccccc1.c1cnnnc1.c1cscn1
InChIInChI=1S/C6H6.C3H3N3.C3H3NS/c2*1-2-4-6-5-3-1;1-2-5-3-4-1/h1-6H;1-3H;1-3H
InChIKeyFTAFARRMVWQGHE-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.70
Rot. Bonds

About benzene;1,3-thiazole;triazine

benzene;1,3-thiazole;triazine (PubChem CID 158133096) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is benzene;1,3-thiazole;triazine.

Molecular Properties

Compound Namebenzene;1,3-thiazole;triazine
PubChem CID158133096
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Namebenzene;1,3-thiazole;triazine
SMILESc1ccccc1.c1cnnnc1.c1cscn1
InChIInChI=1S/C6H6.C3H3N3.C3H3NS/c2*1-2-4-6-5-3-1;1-2-5-3-4-1/h1-6H;1-3H;1-3H
InChIKeyFTAFARRMVWQGHE-UHFFFAOYSA-N
XLogP2.70
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;1,3-thiazole;triazine?
The IUPAC name of benzene;1,3-thiazole;triazine (CID 158133096) is benzene;1,3-thiazole;triazine.
What is the SMILES notation for benzene;1,3-thiazole;triazine?
The canonical SMILES for benzene;1,3-thiazole;triazine is c1ccccc1.c1cnnnc1.c1cscn1.
What is the InChIKey of benzene;1,3-thiazole;triazine?
The InChIKey is FTAFARRMVWQGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H3N3.C3H3NS/c2*1-2-4-6-5-3-1;1-2-5-3-4-1/h1-6H;1-3H;1-3H.
What are the key properties of benzene;1,3-thiazole;triazine?
benzene;1,3-thiazole;triazine has a molecular weight of 244.32 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,3-thiazole;triazine is sourced from PubChem (CID 158133096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).