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

C8H8ClN5OS — CID 106928226

IUPAC4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2ncco2)n1
InChIInChI=1S/C8H8ClN5OS/c1-2-10-6-12-5(9)13-7(14-6)16-8-11-3-4-15-8/h3-4H,2H2,1H3,(H,10,12,13,14)
InChIKeyLHQJSKCRGZGSHE-UHFFFAOYSA-N
MW257.71 g/mol
LogP2.10
Rot. Bonds4

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

4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 106928226) has the molecular formula C8H8ClN5OS and a molecular weight of 257.71 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID106928226
Molecular FormulaC8H8ClN5OS
Molecular Weight257.71 g/mol
Exact Mass257.01
IUPAC Name4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2ncco2)n1
InChIInChI=1S/C8H8ClN5OS/c1-2-10-6-12-5(9)13-7(14-6)16-8-11-3-4-15-8/h3-4H,2H2,1H3,(H,10,12,13,14)
InChIKeyLHQJSKCRGZGSHE-UHFFFAOYSA-N
XLogP2.10
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.71
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106928369
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106928221
N-ethyl-5-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928372
4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894504
2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole
CID 172684469
4-chloro-N-ethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80886104
4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80891820
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80888245
4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 80889048

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (CID 106928226) is 4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(Sc2ncco2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is LHQJSKCRGZGSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5OS/c1-2-10-6-12-5(9)13-7(14-6)16-8-11-3-4-15-8/h3-4H,2H2,1H3,(H,10,12,13,14).
What are the key properties of 4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 257.71 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106928226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).