N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine

C10H12N4OS2 — CID 80888545

IUPACN-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Sc2cccs2)n1
InChIInChI=1S/C10H12N4OS2/c1-3-11-8-12-9(15-2)14-10(13-8)17-7-5-4-6-16-7/h4-6H,3H2,1-2H3,(H,11,12,13,14)
InChIKeyBUCBAOIABOALMS-UHFFFAOYSA-N
MW268.37 g/mol
LogP2.52
Rot. Bonds5

About N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine

N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 80888545) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
PubChem CID80888545
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC NameN-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Sc2cccs2)n1
InChIInChI=1S/C10H12N4OS2/c1-3-11-8-12-9(15-2)14-10(13-8)17-7-5-4-6-16-7/h4-6H,3H2,1-2H3,(H,11,12,13,14)
InChIKeyBUCBAOIABOALMS-UHFFFAOYSA-N
XLogP2.52
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80885392
N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80872113
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine
CID 80885688
N-ethyl-4-methoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873852
4-(3,4-dimethylphenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893106
N-ethyl-4-methoxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872033
4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893899
4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80825243
4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 103291519
N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80892730
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine
CID 80890079

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine (CID 80888545) is N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(Sc2cccs2)n1.
What is the InChIKey of N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is BUCBAOIABOALMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-3-11-8-12-9(15-2)14-10(13-8)17-7-5-4-6-16-7/h4-6H,3H2,1-2H3,(H,11,12,13,14).
What are the key properties of N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine?
N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 268.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80888545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).