4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine

C7H7ClN6S2 — CID 80894504

IUPAC4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2ncns2)n1
InChIInChI=1S/C7H7ClN6S2/c1-2-9-5-12-4(8)13-6(14-5)15-7-10-3-11-16-7/h3H,2H2,1H3,(H,9,12,13,14)
InChIKeyQYJSWWCRHLIZOE-UHFFFAOYSA-N
MW274.76 g/mol
LogP1.96
Rot. Bonds4

About 4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine

4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80894504) has the molecular formula C7H7ClN6S2 and a molecular weight of 274.76 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80894504
Molecular FormulaC7H7ClN6S2
Molecular Weight274.76 g/mol
Exact Mass273.99
IUPAC Name4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2ncns2)n1
InChIInChI=1S/C7H7ClN6S2/c1-2-9-5-12-4(8)13-6(14-5)15-7-10-3-11-16-7/h3H,2H2,1H3,(H,9,12,13,14)
InChIKeyQYJSWWCRHLIZOE-UHFFFAOYSA-N
XLogP1.96
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894893
4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 106928226
4-chloro-N-ethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80886104
N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894790
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 80889048
4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine
CID 103291573
4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80888245
N-ethyl-2,5-dimethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80895358
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine (CID 80894504) is 4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(Sc2ncns2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is QYJSWWCRHLIZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6S2/c1-2-9-5-12-4(8)13-6(14-5)15-7-10-3-11-16-7/h3H,2H2,1H3,(H,9,12,13,14).
What are the key properties of 4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 274.76 g/mol, XLogP of 1.96, 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-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80894504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).