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

C12H16N6S2 — CID 80885488

IUPACN-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Sc2nccs2)nc(N2CCCC2)n1
InChIInChI=1S/C12H16N6S2/c1-2-13-9-15-10(18-6-3-4-7-18)17-11(16-9)20-12-14-5-8-19-12/h5,8H,2-4,6-7H2,1H3,(H,13,15,16,17)
InChIKeyPANVDLXERDMPKV-UHFFFAOYSA-N
MW308.44 g/mol
LogP2.51
Rot. Bonds5

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

N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80885488) has the molecular formula C12H16N6S2 and a molecular weight of 308.44 g/mol. Its IUPAC name is N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80885488
Molecular FormulaC12H16N6S2
Molecular Weight308.44 g/mol
Exact Mass308.09
IUPAC NameN-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Sc2nccs2)nc(N2CCCC2)n1
InChIInChI=1S/C12H16N6S2/c1-2-13-9-15-10(18-6-3-4-7-18)17-11(16-9)20-12-14-5-8-19-12/h5,8H,2-4,6-7H2,1H3,(H,13,15,16,17)
InChIKeyPANVDLXERDMPKV-UHFFFAOYSA-N
XLogP2.51
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 52.51
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-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80783537
N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80872113
N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80885392
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106928221
4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80887435
N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106928518
4-N-methyl-6-piperidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80783369
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80886405

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (CID 80885488) is N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is CCNc1nc(Sc2nccs2)nc(N2CCCC2)n1.
What is the InChIKey of N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is PANVDLXERDMPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S2/c1-2-13-9-15-10(18-6-3-4-7-18)17-11(16-9)20-12-14-5-8-19-12/h5,8H,2-4,6-7H2,1H3,(H,13,15,16,17).
What are the key properties of N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 308.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80885488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).