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

C8H9ClN6S2 — CID 80885815

IUPAC4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C8H9ClN6S2/c1-3-10-6-11-5(9)12-7(13-6)17-8-15-14-4(2)16-8/h3H2,1-2H3,(H,10,11,12,13)
InChIKeyDACCJMIMBNKGFW-UHFFFAOYSA-N
MW288.79 g/mol
LogP2.27
Rot. Bonds4

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

4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 80885815) has the molecular formula C8H9ClN6S2 and a molecular weight of 288.79 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID80885815
Molecular FormulaC8H9ClN6S2
Molecular Weight288.79 g/mol
Exact Mass288.00
IUPAC Name4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C8H9ClN6S2/c1-3-10-6-11-5(9)12-7(13-6)17-8-15-14-4(2)16-8/h3H2,1-2H3,(H,10,11,12,13)
InChIKeyDACCJMIMBNKGFW-UHFFFAOYSA-N
XLogP2.27
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 34888283
4-chloro-N,N-diethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 55125198
4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 62867223
N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80873508
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
4-Chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80885265
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
4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine
CID 80885447
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
2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 80885725

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 80885815) is 4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(Sc2nnc(C)s2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is DACCJMIMBNKGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN6S2/c1-3-10-6-11-5(9)12-7(13-6)17-8-15-14-4(2)16-8/h3H2,1-2H3,(H,10,11,12,13).
What are the key properties of 4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 288.79 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80885815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).