6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

C18H15N7S2 — CID 1112965

IUPAC6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCc1nnc(Sc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)s1
InChIInChI=1S/C18H15N7S2/c1-12-24-25-18(26-12)27-17-22-15(19-13-8-4-2-5-9-13)21-16(23-17)20-14-10-6-3-7-11-14/h2-11H,1H3,(H2,19,20,21,22,23)
InChIKeyBORCEGKFVCIFDZ-UHFFFAOYSA-N
MW393.50 g/mol
LogP4.67
Rot. Bonds6

About 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (PubChem CID 1112965) has the molecular formula C18H15N7S2 and a molecular weight of 393.50 g/mol. Its IUPAC name is 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
PubChem CID1112965
Molecular FormulaC18H15N7S2
Molecular Weight393.50 g/mol
Exact Mass393.08
IUPAC Name6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCc1nnc(Sc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)s1
InChIInChI=1S/C18H15N7S2/c1-12-24-25-18(26-12)27-17-22-15(19-13-8-4-2-5-9-13)21-16(23-17)20-14-10-6-3-7-11-14/h2-11H,1H3,(H2,19,20,21,22,23)
InChIKeyBORCEGKFVCIFDZ-UHFFFAOYSA-N
XLogP4.67
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (CID 1112965) is 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is Cc1nnc(Sc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)s1.
What is the InChIKey of 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BORCEGKFVCIFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7S2/c1-12-24-25-18(26-12)27-17-22-15(19-13-8-4-2-5-9-13)21-16(23-17)20-14-10-6-3-7-11-14/h2-11H,1H3,(H2,19,20,21,22,23).
What are the key properties of 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 393.50 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1112965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).