N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

C11H16N6OS2 — CID 80885263

IUPACN-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C)C)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C11H16N6OS2/c1-5-12-8-13-9(18-6(2)3)15-10(14-8)20-11-17-16-7(4)19-11/h6H,5H2,1-4H3,(H,12,13,14,15)
InChIKeyBDQJVEQXWNIWJD-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.40
Rot. Bonds6

About N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80885263) has the molecular formula C11H16N6OS2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80885263
Molecular FormulaC11H16N6OS2
Molecular Weight312.42 g/mol
Exact Mass312.08
IUPAC NameN-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC(C)C)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C11H16N6OS2/c1-5-12-8-13-9(18-6(2)3)15-10(14-8)20-11-17-16-7(4)19-11/h6H,5H2,1-4H3,(H,12,13,14,15)
InChIKeyBDQJVEQXWNIWJD-UHFFFAOYSA-N
XLogP2.40
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-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

Related Compounds

4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80873505
4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80873628
2-N,2-N,4-N-triethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 80873629
2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80885268
N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 80885450
4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine
CID 80885543
4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 80885638
N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80885718
4-ethoxy-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80885811
4-methoxy-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80885816
N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 80886000
4-Ethoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80886003

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80885263) is N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCNc1nc(OC(C)C)nc(Sc2nnc(C)s2)n1.
What is the InChIKey of N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is BDQJVEQXWNIWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS2/c1-5-12-8-13-9(18-6(2)3)15-10(14-8)20-11-17-16-7(4)19-11/h6H,5H2,1-4H3,(H,12,13,14,15).
What are the key properties of N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80885263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).