N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine

C9H11N5OS2 — CID 80885392

IUPACN-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Sc2nccs2)n1
InChIInChI=1S/C9H11N5OS2/c1-3-10-6-12-7(15-2)14-8(13-6)17-9-11-4-5-16-9/h4-5H,3H2,1-2H3,(H,10,12,13,14)
InChIKeyGPTVYKCCBCBOOG-UHFFFAOYSA-N
MW269.36 g/mol
LogP1.92
Rot. Bonds5

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

N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80885392) has the molecular formula C9H11N5OS2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80885392
Molecular FormulaC9H11N5OS2
Molecular Weight269.36 g/mol
Exact Mass269.04
IUPAC NameN-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Sc2nccs2)n1
InChIInChI=1S/C9H11N5OS2/c1-3-10-6-12-7(15-2)14-8(13-6)17-9-11-4-5-16-9/h4-5H,3H2,1-2H3,(H,10,12,13,14)
InChIKeyGPTVYKCCBCBOOG-UHFFFAOYSA-N
XLogP1.92
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

[4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80923215
4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80886405
N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80885488
N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888545
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
CID 62859542
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine
CID 80885688
4-(3,4-dimethylphenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893106
4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894893
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
N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80892730
N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887898

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (CID 80885392) is N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(Sc2nccs2)n1.
What is the InChIKey of N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is GPTVYKCCBCBOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c1-3-10-6-12-7(15-2)14-8(13-6)17-9-11-4-5-16-9/h4-5H,3H2,1-2H3,(H,10,12,13,14).
What are the key properties of N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 269.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80885392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).