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

C14H19N5S2 — CID 80872113

IUPACN-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Sc2cccs2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H19N5S2/c1-2-15-12-16-13(19-8-4-3-5-9-19)18-14(17-12)21-11-7-6-10-20-11/h6-7,10H,2-5,8-9H2,1H3,(H,15,16,17,18)
InChIKeyNHELZFLOUZVZIJ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.51
Rot. Bonds5

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

N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 80872113) has the molecular formula C14H19N5S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
PubChem CID80872113
Molecular FormulaC14H19N5S2
Molecular Weight321.47 g/mol
Exact Mass321.11
IUPAC NameN-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Sc2cccs2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H19N5S2/c1-2-15-12-16-13(19-8-4-3-5-9-19)18-14(17-12)21-11-7-6-10-20-11/h6-7,10H,2-5,8-9H2,1H3,(H,15,16,17,18)
InChIKeyNHELZFLOUZVZIJ-UHFFFAOYSA-N
XLogP3.51
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80925437
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
4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80887435
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106928221
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-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80783537
4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565
6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80772845

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine (CID 80872113) is N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine is CCNc1nc(Sc2cccs2)nc(N2CCCCC2)n1.
What is the InChIKey of N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is NHELZFLOUZVZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S2/c1-2-15-12-16-13(19-8-4-3-5-9-19)18-14(17-12)21-11-7-6-10-20-11/h6-7,10H,2-5,8-9H2,1H3,(H,15,16,17,18).
What are the key properties of N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine?
N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 321.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80872113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).