2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine

C13H21N7S — CID 80782409

IUPAC2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCc2nccs2)nc(N(CC)CC)n1
InChIInChI=1S/C13H21N7S/c1-4-14-11-17-12(16-9-10-15-7-8-21-10)19-13(18-11)20(5-2)6-3/h7-8H,4-6,9H2,1-3H3,(H2,14,16,17,18,19)
InChIKeyFEDNJIIXABSVEZ-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.22
Rot. Bonds8

About 2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80782409) has the molecular formula C13H21N7S and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80782409
Molecular FormulaC13H21N7S
Molecular Weight307.43 g/mol
Exact Mass307.16
IUPAC Name2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCc2nccs2)nc(N(CC)CC)n1
InChIInChI=1S/C13H21N7S/c1-4-14-11-17-12(16-9-10-15-7-8-21-10)19-13(18-11)20(5-2)6-3/h7-8H,4-6,9H2,1-3H3,(H2,14,16,17,18,19)
InChIKeyFEDNJIIXABSVEZ-UHFFFAOYSA-N
XLogP2.22
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-N,4-N-diethyl-6-hydrazinyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80907702
4-N-ethyl-6-pyrrolidin-1-yl-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80783537
4,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 61283291
2-N,2-N,6-N-triethyl-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80750440
6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80779648
4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80825421
2-N,2-N,6-N-triethyl-4-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80785774
6-ethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 146105270
5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine
CID 105362504
2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80779800
6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 54292707
2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 80764116

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 80782409) is 2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCc2nccs2)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FEDNJIIXABSVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7S/c1-4-14-11-17-12(16-9-10-15-7-8-21-10)19-13(18-11)20(5-2)6-3/h7-8H,4-6,9H2,1-3H3,(H2,14,16,17,18,19).
What are the key properties of 2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 307.43 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80782409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).